#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n0t h PRO 29 N 0.00 0.00 -3.57 -0.67 0.11 -1.99 -3.48 132.00 122.40 3n0t h PRO 29 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3n0t h PRO 29 Cb 0.00 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.18 3n0t h PRO 29 CO 0.00 0.00 -0.30 0.41 -0.21 0.00 0.00 178.00 177.90 3n0t n GLY 30 N 0.65 0.13 3.72 -0.55 0.00 -1.26 -4.60 105.19 103.28 3n0t n GLY 30 Ca 0.04 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3n0t n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n0t s PHE 31 N -3.14 3.10 -0.23 1.61 0.08 -1.26 -4.70 117.98 113.44 3n0t s PHE 31 Ca 0.06 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 57.76 3n0t s PHE 31 Cb -0.01 -3.85 -0.05 0.00 -0.57 0.00 0.00 43.02 38.54 3n0t s PHE 31 CO 0.28 -3.08 0.13 -0.65 -0.10 0.00 0.00 175.22 171.80 3n0t s GLN 32 N 0.96 4.02 -0.22 0.44 1.11 -0.53 -4.89 119.66 120.56 3n0t s GLN 32 Ca 0.67 -0.30 -0.28 0.00 0.01 0.00 0.00 55.36 55.47 3n0t s GLN 32 Cb -0.42 -3.44 0.00 0.00 -1.01 0.00 0.00 33.01 28.14 3n0t s GLN 32 CO 0.32 0.10 0.97 -2.00 0.01 0.00 0.00 175.29 174.69 3n0t s GLU 33 N 0.92 4.26 0.23 2.91 2.12 -1.26 -1.39 118.70 126.49 3n0t s GLU 33 Ca 0.06 1.24 0.03 0.00 0.36 0.00 0.00 54.97 56.66 3n0t s GLU 33 Cb -0.13 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3n0t s GLU 33 CO 0.03 -0.55 -0.00 1.03 -0.54 0.00 0.00 175.26 175.23 3n0t s ARG 34 N 2.91 1.32 0.02 4.30 1.81 0.14 -5.02 118.95 124.44 3n0t s ARG 34 Ca 0.42 -1.67 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 3n0t s ARG 34 Cb -0.15 -0.59 -0.02 0.00 -0.45 0.00 0.00 34.95 33.74 3n0t s ARG 34 CO 0.08 -0.10 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.38 3n0t s PHE 35 N -3.44 1.39 -0.12 -0.53 0.08 -1.26 -1.30 117.98 112.80 3n0t s PHE 35 Ca 0.28 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.05 3n0t s PHE 35 Cb 0.06 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 3n0t s PHE 35 CO 0.08 0.02 -0.23 0.12 -0.10 0.00 0.00 175.22 175.12 3n0t s PHE 36 N -0.65 2.61 -0.89 0.36 5.36 0.15 -4.88 117.98 120.04 3n0t s PHE 36 Ca 0.04 -1.12 -0.24 0.00 -0.96 0.00 0.00 56.93 54.65 3n0t s PHE 36 Cb -0.07 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 3n0t s PHE 36 CO 0.01 -0.47 1.85 -0.65 -1.46 0.00 0.00 175.22 174.50 3n0t s GLN 37 N 0.50 2.74 0.05 10.12 -1.52 -1.26 0.44 119.66 130.71 3n0t s GLN 37 Ca -0.15 -0.35 -0.20 0.00 -1.95 0.00 0.00 55.36 52.72 3n0t s GLN 37 Cb -0.17 -5.04 -0.06 0.00 -0.22 0.00 0.00 33.01 27.52 3n0t s GLN 37 CO 0.05 -3.12 0.58 -1.14 -0.25 0.00 0.00 175.29 171.42 3n0t s GLN 38 N 6.66 4.25 0.21 2.91 2.00 0.25 -4.82 119.66 131.12 3n0t s GLN 38 Ca 0.65 0.74 -0.31 0.00 -2.00 0.00 0.00 55.36 54.44 3n0t s GLN 38 Cb -0.06 -3.28 -0.10 0.00 0.80 0.00 0.00 33.01 30.37 3n0t s GLN 38 CO -0.00 0.54 1.50 1.03 -0.50 0.00 0.00 175.29 177.86 3n0t s ARG 39 N -0.78 4.24 0.09 1.67 0.52 -1.26 -0.25 118.95 123.18 3n0t s ARG 39 Ca 0.30 2.33 -0.28 0.00 -0.52 0.00 0.00 55.73 57.56 3n0t s ARG 39 Cb -0.19 -3.13 -0.14 0.00 0.52 0.00 0.00 34.95 32.01 3n0t s ARG 39 CO 0.18 -0.51 1.67 -0.07 0.02 0.00 0.00 175.30 176.59 3n0t h LEU 40 N 5.85 -0.51 -7.63 2.53 3.38 -1.79 -3.42 115.31 113.72 3n0t h LEU 40 Ca -0.44 0.04 -0.62 0.00 0.09 0.00 0.00 57.88 56.94 3n0t h LEU 40 Cb 1.21 0.16 -0.38 0.00 0.09 0.00 0.00 40.66 41.74 3n0t h LEU 40 CO 0.84 -0.31 -0.78 -0.62 0.09 0.00 0.00 178.44 177.66 3n0t s ASP 41 N -4.78 4.02 0.12 -0.43 -1.08 -1.26 -4.97 116.67 108.28 3n0t s ASP 41 Ca -0.16 -1.33 0.27 0.00 -0.52 0.00 0.00 52.55 50.81 3n0t s ASP 41 Cb 0.06 -1.24 0.94 0.00 -1.46 0.00 0.00 42.92 41.22 3n0t s ASP 41 CO 0.64 -0.26 1.80 1.41 0.52 0.00 0.00 175.17 179.28 3n0t n HIS 42 N 4.62 0.51 0.31 -5.34 8.25 -1.26 -4.02 115.22 118.29 3n0t n HIS 42 Ca -0.10 0.15 0.04 0.00 -0.26 0.00 0.00 57.72 57.55 3n0t n HIS 42 Cb 0.43 -0.73 0.02 0.00 1.12 0.00 0.00 29.99 30.84 3n0t n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3n0t n PHE 43 N -1.93 0.00 -3.74 4.41 3.72 -1.26 -4.96 117.46 113.70 3n0t n PHE 43 Ca 0.06 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.31 3n0t n PHE 43 Cb 0.39 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.78 3n0t n PHE 43 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3n0t s ASN 44 N -0.77 0.11 0.02 4.37 3.84 -1.26 -5.04 114.94 116.21 3n0t s ASN 44 Ca 0.08 0.23 0.24 0.00 0.21 0.00 0.00 52.86 53.62 3n0t s ASN 44 Cb 0.06 0.12 0.35 0.00 -0.55 0.00 0.00 41.25 41.23 3n0t s ASN 44 CO 0.12 -0.16 1.30 0.49 -2.79 0.00 0.00 177.10 176.06 3n0t n PHE 45 N 4.40 0.10 -0.06 0.43 3.72 -1.26 -4.62 117.46 120.16 3n0t n PHE 45 Ca -0.23 0.03 -0.10 0.00 -0.05 0.00 0.00 57.45 57.10 3n0t n PHE 45 Cb 0.51 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3n0t n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3n0t n GLU 46 N -1.63 0.30 -0.19 -1.08 1.02 -1.26 -3.92 120.64 113.88 3n0t n GLU 46 Ca 0.05 0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 3n0t n GLU 46 Cb 0.36 -1.16 0.07 0.00 -0.02 0.00 0.00 31.44 30.69 3n0t n GLU 46 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3n0t h ARG 47 N -0.14 0.06 0.00 3.49 1.12 -2.00 -3.07 114.38 113.84 3n0t h ARG 47 Ca -0.29 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.55 3n0t h ARG 47 Cb 1.39 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.29 3n0t h ARG 47 CO -0.09 0.04 -0.34 1.19 -3.11 0.00 0.00 179.97 177.66 3n0t n PHE 48 N -5.32 0.00 0.00 2.20 3.72 -1.26 -5.09 117.46 111.71 3n0t n PHE 48 Ca 0.07 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 3n0t n PHE 48 Cb 0.32 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3n0t n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n0t n GLY 49 N -0.96 1.41 1.47 1.37 0.00 -1.16 -1.17 105.19 106.15 3n0t n GLY 49 Ca 0.14 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.53 3n0t n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3n0t n ASN 50 N 1.86 4.95 -4.77 1.61 6.94 -1.26 -4.77 115.26 119.82 3n0t n ASN 50 Ca 0.00 -2.95 -0.35 0.00 -0.02 0.00 0.00 54.58 51.26 3n0t n ASN 50 Cb 0.00 -0.62 0.01 0.00 -2.36 0.00 0.00 39.78 36.81 3n0t n ASN 50 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3n0t s LYS 51 N -2.75 3.21 0.39 -3.83 1.02 -0.32 -4.97 119.74 112.49 3n0t s LYS 51 Ca 0.49 1.65 0.04 0.00 0.02 0.00 0.00 55.97 58.17 3n0t s LYS 51 Cb 0.38 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 3n0t s LYS 51 CO 0.13 -0.98 0.10 0.95 -0.92 0.00 0.00 175.35 174.64 3n0t s THR 52 N -1.77 0.78 -0.03 2.17 -4.23 -1.26 -2.49 115.64 108.81 3n0t s THR 52 Ca 0.74 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 3n0t s THR 52 Cb -0.25 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3n0t s THR 52 CO 0.30 0.00 0.36 0.72 -0.54 0.00 0.00 174.62 175.46 3n0t s PHE 53 N -3.23 -0.26 -0.20 3.99 -0.12 0.66 -4.78 117.98 114.05 3n0t s PHE 53 Ca 0.26 0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 57.29 3n0t s PHE 53 Cb 0.04 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 3n0t s PHE 53 CO 0.14 -0.40 1.10 -2.14 -0.05 0.00 0.00 175.22 173.87 3n0t s PRO 54 N -1.19 4.27 -0.19 1.99 0.02 -1.26 -0.58 135.00 138.06 3n0t s PRO 54 Ca -0.12 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.23 3n0t s PRO 54 Cb -0.04 -3.66 -0.05 0.00 0.02 0.00 0.00 34.50 30.77 3n0t s PRO 54 CO 0.05 -0.62 0.21 -1.14 -0.33 0.00 0.00 177.00 175.17 3n0t s GLN 55 N 3.15 4.21 0.12 5.54 0.74 0.17 -4.37 119.66 129.22 3n0t s GLN 55 Ca 0.48 -0.07 -0.25 0.00 0.05 0.00 0.00 55.36 55.57 3n0t s GLN 55 Cb -0.17 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.43 3n0t s GLN 55 CO 0.10 0.24 0.75 0.50 -0.55 0.00 0.00 175.29 176.33 3n0t s ARG 56 N 0.50 4.51 -0.08 1.67 3.52 -1.26 0.31 118.95 128.11 3n0t s ARG 56 Ca 0.12 1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 56.68 3n0t s ARG 56 Cb -0.12 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3n0t s ARG 56 CO 0.01 0.51 0.32 -0.59 -0.81 0.00 0.00 175.30 174.74 3n0t s PHE 57 N -0.87 -0.29 -0.09 5.12 -0.12 -0.42 -0.79 117.98 120.52 3n0t s PHE 57 Ca 0.36 0.65 -0.06 0.00 -0.05 0.00 0.00 56.93 57.83 3n0t s PHE 57 Cb -0.22 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 3n0t s PHE 57 CO 0.25 -0.26 0.14 -0.51 -0.05 0.00 0.00 175.22 174.79 3n0t s LEU 58 N -0.39 4.32 -0.01 -1.99 1.43 -0.15 -0.68 118.68 121.20 3n0t s LEU 58 Ca -0.05 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3n0t s LEU 58 Cb -0.03 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.02 3n0t s LEU 58 CO 0.02 0.37 0.01 0.54 0.23 0.00 0.00 176.35 177.52 3n0t s VAL 59 N -1.09 0.01 -0.05 -1.59 0.11 -0.48 -1.32 120.40 115.97 3n0t s VAL 59 Ca 0.18 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 3n0t s VAL 59 Cb -0.12 -0.08 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 3n0t s VAL 59 CO 0.07 0.06 -0.03 -0.55 -3.33 0.00 0.00 175.10 171.32 3n0t s SER 60 N 0.55 1.13 -0.14 3.54 0.15 -0.52 -1.45 113.70 116.97 3n0t s SER 60 Ca -0.05 -0.12 0.16 0.00 0.70 0.00 0.00 55.95 56.64 3n0t s SER 60 Cb -0.07 -0.46 0.40 0.00 -1.71 0.00 0.00 66.02 64.18 3n0t s SER 60 CO -0.01 -0.09 1.29 -0.90 1.20 0.00 0.00 173.24 174.73 3n0t n ASP 61 N 4.33 3.16 -0.37 5.45 5.75 -1.26 -1.77 116.55 131.83 3n0t n ASP 61 Ca -0.20 -2.91 -0.00 0.00 -0.01 0.00 0.00 54.79 51.66 3n0t n ASP 61 Cb 0.51 -0.45 0.14 0.00 -1.03 0.00 0.00 41.12 40.29 3n0t n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3n0t h ARG 62 N 1.07 1.24 0.00 0.11 2.43 -1.90 -2.84 114.38 114.48 3n0t h ARG 62 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3n0t h ARG 62 Cb 1.18 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3n0t h ARG 62 CO 0.11 0.82 -1.51 1.19 -1.51 0.00 0.00 179.97 179.07 3n0t n PHE 63 N -4.43 0.49 -1.62 2.20 3.72 -1.26 -4.97 117.46 111.58 3n0t n PHE 63 Ca 0.13 0.14 -0.47 0.00 -0.05 0.00 0.00 57.45 57.21 3n0t n PHE 63 Cb 0.08 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 37.84 3n0t n PHE 63 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 176.76 178.58 3n0t n TRP 64 N -2.47 2.17 -3.25 1.38 -0.00 -1.07 -4.15 117.44 110.05 3n0t n TRP 64 Ca -0.02 -0.05 -0.46 0.00 -0.00 0.00 0.00 57.50 56.96 3n0t n TRP 64 Cb 0.57 -2.68 -0.01 0.00 -0.00 0.00 0.00 31.31 29.18 3n0t n TRP 64 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3n0t s VAL 65 N 5.60 5.56 0.02 5.87 1.01 -0.78 -5.00 120.40 132.69 3n0t s VAL 65 Ca 0.97 -2.63 -0.37 0.00 0.00 0.00 0.00 61.98 59.95 3n0t s VAL 65 Cb -0.60 -4.58 -0.16 0.00 0.00 0.00 0.00 36.38 31.04 3n0t s VAL 65 CO 0.46 -1.18 1.47 -2.11 0.00 0.00 0.00 175.10 173.74 3n0t n ARG 66 N 4.10 1.30 0.00 2.72 0.00 -1.26 -1.03 116.66 122.49 3n0t n ARG 66 Ca 0.20 0.47 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 3n0t n ARG 66 Cb 0.45 -2.15 0.00 0.00 -0.00 0.00 0.00 32.46 30.76 3n0t n ARG 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3n0t n GLY 67 N 3.03 2.86 0.00 2.89 0.00 -1.26 -4.80 105.19 107.91 3n0t n GLY 67 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3n0t n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3n0t n GLU 68 N -2.00 0.98 -2.99 1.61 -0.00 -0.44 -5.05 120.64 112.76 3n0t n GLU 68 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 56.83 3n0t n GLU 68 Cb 0.00 -0.93 -0.07 0.00 -0.00 0.00 0.00 31.44 30.45 3n0t n GLU 68 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3n0t s GLY 69 N -3.53 2.36 0.92 -1.84 0.00 -0.19 -5.04 107.32 99.99 3n0t s GLY 69 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.80 3n0t s GLY 69 CO 0.00 0.45 1.26 2.56 0.00 0.00 0.00 173.10 177.37 3n0t s PRO 70 N -3.08 0.81 -0.26 2.90 0.04 -1.26 -4.78 135.00 129.37 3n0t s PRO 70 Ca 0.58 -0.58 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 3n0t s PRO 70 Cb -0.10 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3n0t s PRO 70 CO 0.15 -2.25 0.16 0.42 0.04 0.00 0.00 177.00 175.52 3n0t s ILE 71 N -3.75 5.16 -0.40 0.56 1.01 -0.50 -0.34 121.20 122.93 3n0t s ILE 71 Ca 0.73 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 61.33 3n0t s ILE 71 Cb -0.04 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.02 3n0t s ILE 71 CO 0.51 0.30 0.38 -0.36 0.00 0.00 0.00 174.94 175.78 3n0t s PHE 72 N 1.44 3.20 -0.25 3.97 0.40 0.35 -0.66 117.98 126.43 3n0t s PHE 72 Ca 0.07 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.98 3n0t s PHE 72 Cb -0.15 -2.76 0.02 0.00 0.51 0.00 0.00 43.02 40.64 3n0t s PHE 72 CO 0.07 -0.62 -0.04 0.12 0.70 0.00 0.00 175.22 175.46 3n0t s PHE 73 N 1.96 3.06 -0.31 0.36 5.36 -0.03 -0.20 117.98 128.18 3n0t s PHE 73 Ca 0.10 -1.37 -0.17 0.00 -0.96 0.00 0.00 56.93 54.52 3n0t s PHE 73 Cb -0.18 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3n0t s PHE 73 CO 0.12 -0.68 0.49 -0.47 -1.46 0.00 0.00 175.22 173.22 3n0t s TYR 74 N 1.38 3.22 -1.03 10.12 5.04 0.14 -0.00 117.35 136.21 3n0t s TYR 74 Ca 0.02 0.35 -0.20 0.00 -2.44 0.00 0.00 57.07 54.80 3n0t s TYR 74 Cb -0.16 -2.80 0.10 0.00 0.35 0.00 0.00 41.96 39.45 3n0t s TYR 74 CO -0.03 -0.41 1.33 0.95 -1.34 0.00 0.00 175.55 176.05 3n0t s THR 75 N 2.31 4.42 0.21 4.34 -4.23 -0.85 -0.67 115.64 121.18 3n0t s THR 75 Ca 0.19 -1.45 -0.32 0.00 -1.18 0.00 0.00 61.69 58.93 3n0t s THR 75 Cb -0.16 -4.93 -0.14 0.00 1.34 0.00 0.00 72.50 68.61 3n0t s THR 75 CO 0.11 -1.72 1.33 0.61 -0.54 0.00 0.00 174.62 174.42 3n0t n GLY 76 N 5.81 0.55 0.00 3.99 0.00 0.13 -4.58 105.19 111.09 3n0t n GLY 76 Ca 0.31 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3n0t n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3n0t n ASN 77 N 2.16 0.07 -2.26 1.61 6.94 -1.26 -3.79 115.26 118.72 3n0t n ASN 77 Ca 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.66 3n0t n ASN 77 Cb 0.29 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.67 3n0t n ASN 77 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3n0t n GLU 78 N 0.00 0.54 -0.69 -3.83 0.00 -1.26 -4.43 120.64 110.97 3n0t n GLU 78 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 57.16 56.92 3n0t n GLU 78 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.84 3n0t n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3n0t n GLY 79 N 2.67 1.22 3.71 -1.84 0.00 -1.26 -4.85 105.19 104.84 3n0t n GLY 79 Ca 0.11 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3n0t n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n0t s ASP 80 N 0.77 6.80 0.48 1.61 -1.08 -1.26 -4.20 116.67 119.80 3n0t s ASP 80 Ca 0.00 2.30 0.20 0.00 -0.52 0.00 0.00 52.55 54.53 3n0t s ASP 80 Cb 0.00 -2.58 1.22 0.00 -1.46 0.00 0.00 42.92 40.11 3n0t s ASP 80 CO 0.00 -0.69 1.99 1.62 0.52 0.00 0.00 175.17 178.61 3n0t h VAL 81 N 4.45 0.81 -0.00 1.11 3.04 -1.92 0.07 116.25 123.80 3n0t h VAL 81 Ca -0.41 -0.06 -0.09 0.00 -1.01 0.00 0.00 66.70 65.13 3n0t h VAL 81 Cb 1.20 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3n0t h VAL 81 CO 0.88 0.03 -0.41 -0.50 -1.01 0.00 0.00 177.57 176.57 3n0t h TRP 82 N 0.19 0.00 -0.67 3.17 4.06 -1.97 -1.89 115.95 118.84 3n0t h TRP 82 Ca 0.26 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.21 3n0t h TRP 82 Cb 0.77 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.89 3n0t h TRP 82 CO -0.00 0.41 0.44 0.00 -3.56 0.00 0.00 178.44 175.73 3n0t h ALA 83 N 1.59 0.85 -0.05 1.49 0.00 -1.36 0.15 119.26 121.93 3n0t h ALA 83 Ca -0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3n0t h ALA 83 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3n0t h ALA 83 CO 0.05 0.28 -0.81 0.74 0.00 0.00 0.00 179.25 179.52 3n0t h PHE 84 N 0.91 0.56 -0.51 0.00 0.04 -1.55 -2.26 116.94 114.14 3n0t h PHE 84 Ca 0.25 -0.27 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 3n0t h PHE 84 Cb -0.10 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3n0t h PHE 84 CO -0.03 1.05 -0.16 0.00 -0.60 0.00 0.00 178.31 178.58 3n0t h ALA 85 N 0.87 0.76 0.00 2.45 0.00 -1.09 -0.73 119.26 121.51 3n0t h ALA 85 Ca -0.05 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3n0t h ALA 85 Cb 1.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3n0t h ALA 85 CO 0.14 0.67 -0.28 -0.91 0.00 0.00 0.00 179.25 178.87 3n0t h ASN 86 N 0.87 0.00 -0.04 0.00 2.35 -0.73 -3.34 115.58 114.68 3n0t h ASN 86 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3n0t h ASN 86 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3n0t h ASN 86 CO 0.06 0.28 0.00 0.59 -1.65 0.00 0.00 177.43 176.71 3n0t n ASN 87 N -3.29 2.01 -2.87 5.81 3.02 -0.85 -4.71 115.26 114.38 3n0t n ASN 87 Ca 0.01 -1.51 -0.23 0.00 -0.03 0.00 0.00 54.58 52.82 3n0t n ASN 87 Cb 0.54 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 3n0t n ASN 87 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3n0t n SER 88 N 0.61 3.37 0.31 6.41 7.64 -0.29 -4.16 113.62 127.52 3n0t n SER 88 Ca 0.07 -3.43 0.21 0.00 1.01 0.00 0.00 58.87 56.72 3n0t n SER 88 Cb 0.29 -0.55 1.03 0.00 -1.01 0.00 0.00 64.21 63.97 3n0t n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n0t h ALA 89 N 2.90 1.00 -0.04 -0.43 0.00 -1.71 -2.88 119.26 118.09 3n0t h ALA 89 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3n0t h ALA 89 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3n0t h ALA 89 CO 0.72 0.00 -0.23 0.35 0.00 0.00 0.00 179.25 180.09 3n0t h PHE 90 N 0.00 0.07 -0.35 0.00 3.57 -1.26 -1.02 116.94 117.95 3n0t h PHE 90 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3n0t h PHE 90 Cb 0.18 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3n0t h PHE 90 CO 0.00 0.30 0.15 0.28 -2.23 0.00 0.00 178.31 176.81 3n0t h VAL 91 N 0.06 1.18 -0.56 1.41 2.07 -1.69 -0.39 116.25 118.33 3n0t h VAL 91 Ca 0.01 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3n0t h VAL 91 Cb 0.45 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3n0t h VAL 91 CO 0.03 0.20 -0.03 0.00 0.02 0.00 0.00 177.57 177.79 3n0t h ALA 92 N 0.99 0.88 0.12 1.67 0.00 -1.66 -1.41 119.26 119.86 3n0t h ALA 92 Ca 0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3n0t h ALA 92 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3n0t h ALA 92 CO -0.01 0.65 -0.06 0.93 0.00 0.00 0.00 179.25 180.76 3n0t h GLU 93 N 0.90 -0.16 -0.03 0.00 5.08 -0.94 -1.91 114.58 117.53 3n0t h GLU 93 Ca 0.16 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3n0t h GLU 93 Cb 0.57 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3n0t h GLU 93 CO 0.03 0.01 -0.21 1.25 -1.00 0.00 0.00 179.01 179.10 3n0t h LEU 94 N -0.30 0.05 -0.51 1.33 5.85 -1.06 -2.43 115.31 118.25 3n0t h LEU 94 Ca -0.02 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 3n0t h LEU 94 Cb 0.24 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3n0t h LEU 94 CO 0.03 0.26 -0.06 0.00 -0.34 0.00 0.00 178.44 178.33 3n0t h ALA 95 N 1.75 0.69 -0.54 1.25 0.00 -1.01 -0.82 119.26 120.58 3n0t h ALA 95 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3n0t h ALA 95 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3n0t h ALA 95 CO 0.03 0.56 0.28 0.00 0.00 0.00 0.00 179.25 180.11 3n0t h ALA 96 N 0.92 1.47 0.00 0.00 0.00 -0.88 0.23 119.26 121.00 3n0t h ALA 96 Ca 0.14 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3n0t h ALA 96 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3n0t h ALA 96 CO 0.04 0.43 -0.54 0.93 0.00 0.00 0.00 179.25 180.11 3n0t h GLU 97 N 0.75 0.00 -0.01 0.00 5.08 -1.27 -3.34 114.58 115.79 3n0t h GLU 97 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3n0t h GLU 97 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3n0t h GLU 97 CO -0.03 0.54 -0.31 0.54 -1.00 0.00 0.00 179.01 178.75 3n0t n ARG 98 N -3.26 1.73 -2.26 2.33 5.12 -0.33 -4.99 116.66 114.99 3n0t n ARG 98 Ca 0.02 -0.79 -0.13 0.00 -1.93 0.00 0.00 57.85 55.02 3n0t n ARG 98 Cb 0.74 -1.25 -0.00 0.00 -1.16 0.00 0.00 32.46 30.79 3n0t n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3n0t n GLY 99 N 1.10 -0.15 3.85 -0.13 0.00 0.68 -4.55 105.19 105.99 3n0t n GLY 99 Ca 0.06 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3n0t n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t s ALA 100 N -2.65 3.32 0.17 4.61 0.00 -0.48 -1.86 121.76 124.88 3n0t s ALA 100 Ca 0.01 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3n0t s ALA 100 Cb -0.00 -2.77 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 3n0t s ALA 100 CO 0.01 0.33 0.96 -1.17 0.00 0.00 0.00 175.76 175.89 3n0t s LEU 101 N -2.94 4.56 -0.22 0.00 2.96 0.53 -3.40 118.68 120.17 3n0t s LEU 101 Ca 0.54 1.88 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 3n0t s LEU 101 Cb -0.10 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3n0t s LEU 101 CO 0.17 0.03 0.02 -0.76 -1.32 0.00 0.00 176.35 174.50 3n0t s LEU 102 N -0.54 3.31 -0.13 -0.68 1.43 -0.73 0.13 118.68 121.48 3n0t s LEU 102 Ca 0.44 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3n0t s LEU 102 Cb -0.25 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3n0t s LEU 102 CO 0.31 0.03 -0.04 -0.69 0.23 0.00 0.00 176.35 176.18 3n0t s VAL 103 N 1.24 0.88 -0.42 -1.59 1.01 0.72 -1.44 120.40 120.80 3n0t s VAL 103 Ca 0.04 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 3n0t s VAL 103 Cb -0.15 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.29 3n0t s VAL 103 CO 0.02 0.21 0.27 -0.36 0.00 0.00 0.00 175.10 175.23 3n0t s PHE 104 N 1.75 3.35 -0.13 5.22 0.08 -0.44 0.24 117.98 128.05 3n0t s PHE 104 Ca 0.03 -1.58 -0.18 0.00 0.12 0.00 0.00 56.93 55.33 3n0t s PHE 104 Cb -0.14 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 3n0t s PHE 104 CO -0.07 -0.86 0.46 0.00 -0.10 0.00 0.00 175.22 174.64 3n0t s ALA 105 N 1.41 3.49 0.11 5.36 0.00 0.16 -0.98 121.76 131.32 3n0t s ALA 105 Ca 0.03 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3n0t s ALA 105 Cb -0.23 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.20 3n0t s ALA 105 CO 0.02 -0.03 0.97 -2.00 0.00 0.00 0.00 175.76 174.72 3n0t s GLU 106 N 0.70 4.69 0.27 0.00 2.12 0.03 -0.69 118.70 125.82 3n0t s GLU 106 Ca 0.25 1.46 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 3n0t s GLU 106 Cb -0.15 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.77 3n0t s GLU 106 CO 0.09 0.20 1.26 -1.58 -0.54 0.00 0.00 175.26 174.70 3n0t s HIS 107 N 0.02 3.24 0.37 5.30 5.65 -1.25 -4.66 115.29 123.96 3n0t s HIS 107 Ca 0.47 1.41 -0.28 0.00 0.25 0.00 0.00 55.06 56.91 3n0t s HIS 107 Cb -0.24 -3.57 -0.11 0.00 -1.18 0.00 0.00 32.58 27.49 3n0t s HIS 107 CO 0.30 -1.59 1.47 2.89 -0.65 0.00 0.00 174.74 177.16 3n0t n ARG 108 N 1.54 2.62 -0.99 2.88 1.85 -1.26 -2.82 116.66 120.48 3n0t n ARG 108 Ca 0.02 0.92 0.00 0.00 -1.00 0.00 0.00 57.85 57.79 3n0t n ARG 108 Cb 0.43 -2.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.20 3n0t n ARG 108 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3n0t n TYR 109 N 0.45 0.00 -4.60 2.89 4.01 0.79 -5.01 117.16 115.69 3n0t n TYR 109 Ca 0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 3n0t n TYR 109 Cb 0.38 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.28 3n0t n TYR 109 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3n0t s TYR 110 N -2.66 1.76 0.00 -0.72 2.02 -1.13 -4.77 117.35 111.85 3n0t s TYR 110 Ca 0.00 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 3n0t s TYR 110 Cb 0.00 -1.04 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 3n0t s TYR 110 CO 0.00 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 3n0t n GLY 111 N 1.81 3.67 0.81 0.71 0.00 -1.26 -2.16 105.19 108.76 3n0t n GLY 111 Ca -0.17 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3n0t n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3n0t n LYS 112 N 10.67 1.81 -2.54 1.61 5.02 -1.26 -4.74 118.16 128.74 3n0t n LYS 112 Ca 0.00 -1.76 -0.42 0.00 -2.02 0.00 0.00 58.31 54.11 3n0t n LYS 112 Cb 0.00 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3n0t n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3n0t n SER 113 N 1.08 6.09 -4.42 4.39 7.64 -0.92 -4.76 113.62 122.72 3n0t n SER 113 Ca 0.12 -3.26 -0.37 0.00 1.01 0.00 0.00 58.87 56.37 3n0t n SER 113 Cb 0.48 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.19 3n0t n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3n0t s LEU 114 N -1.63 3.64 0.54 -3.43 1.43 -1.26 -0.15 118.68 117.82 3n0t s LEU 114 Ca 0.38 -0.37 0.35 0.00 -1.03 0.00 0.00 54.13 53.47 3n0t s LEU 114 Cb 0.10 -1.93 1.70 0.00 0.03 0.00 0.00 46.19 46.09 3n0t s LEU 114 CO 0.02 -0.10 2.06 -0.65 0.23 0.00 0.00 176.35 177.92 3n0t h PRO 115 N 8.26 0.00 0.00 1.29 0.11 -1.93 -3.18 132.00 136.55 3n0t h PRO 115 Ca -0.36 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 3n0t h PRO 115 Cb 1.16 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 3n0t h PRO 115 CO 0.59 0.00 -0.87 1.19 -0.21 0.00 0.00 178.00 178.71 3n0t n PHE 116 N -2.91 0.00 -4.38 0.65 3.72 -1.26 -4.86 117.46 108.42 3n0t n PHE 116 Ca -0.01 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3n0t n PHE 116 Cb 0.19 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3n0t n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n0t n GLY 117 N 0.22 0.41 0.13 1.37 0.00 -1.20 -3.41 105.19 102.71 3n0t n GLY 117 Ca 0.06 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.32 3n0t n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t n ALA 118 N 5.78 1.43 0.31 4.61 0.00 -1.26 -2.34 120.51 129.04 3n0t n ALA 118 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.68 3n0t n ALA 118 Cb 0.00 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.31 3n0t n ALA 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3n0t h GLN 119 N 0.00 0.00 -0.60 0.00 3.07 -1.95 -3.37 115.11 112.26 3n0t h GLN 119 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.86 3n0t h GLN 119 Cb 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 27.67 3n0t h GLN 119 CO 0.00 0.00 -0.22 0.77 0.09 0.00 0.00 178.83 179.47 3n0t h SER 120 N 0.00 -0.77 -0.03 0.06 0.02 -1.58 0.07 113.55 111.31 3n0t h SER 120 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3n0t h SER 120 Cb 0.94 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3n0t h SER 120 CO 0.00 -0.25 0.00 0.35 -1.14 0.00 0.00 176.83 175.79 3n0t n THR 121 N -5.43 0.04 -4.09 -2.27 -2.24 -1.26 -3.77 114.28 95.25 3n0t n THR 121 Ca 0.06 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 3n0t n THR 121 Cb 0.34 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 3n0t n THR 121 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n0t s GLN 122 N -1.96 2.95 0.13 -0.78 -1.52 0.01 -4.65 119.66 113.83 3n0t s GLN 122 Ca 0.21 -0.61 -0.35 0.00 -1.95 0.00 0.00 55.36 52.67 3n0t s GLN 122 Cb 0.10 -2.77 -0.16 0.00 -0.22 0.00 0.00 33.01 29.95 3n0t s GLN 122 CO 0.16 0.60 1.27 -2.13 -0.25 0.00 0.00 175.29 174.94 3n0t n ARG 123 N 0.80 1.23 -0.27 2.91 0.63 -1.26 -2.22 116.66 118.48 3n0t n ARG 123 Ca -0.11 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 3n0t n ARG 123 Cb 0.52 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.41 3n0t n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3n0t n GLY 124 N 2.32 0.66 0.00 5.14 0.00 -1.26 -4.91 105.19 107.14 3n0t n GLY 124 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3n0t n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n0t n HIS 125 N -2.00 0.00 1.07 1.61 8.25 -0.94 -4.81 115.22 118.40 3n0t n HIS 125 Ca 0.00 -0.20 0.13 0.00 -0.26 0.00 0.00 57.72 57.39 3n0t n HIS 125 Cb 0.00 -0.02 0.43 0.00 1.12 0.00 0.00 29.99 31.52 3n0t n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3n0t n THR 126 N -0.20 0.00 -0.40 1.59 -2.24 -1.25 -4.57 114.28 107.21 3n0t n THR 126 Ca 0.00 -0.02 0.35 0.00 -2.27 0.00 0.00 64.05 62.12 3n0t n THR 126 Cb 0.30 -0.04 0.68 0.00 -2.10 0.00 0.00 70.33 69.17 3n0t n THR 126 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3n0t h GLU 127 N 0.15 0.11 -0.43 -0.78 4.11 -1.92 -0.23 114.58 115.59 3n0t h GLU 127 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3n0t h GLU 127 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3n0t h GLU 127 CO 0.00 0.07 0.00 1.28 0.07 0.00 0.00 179.01 180.43 3n0t n LEU 128 N -4.36 2.69 -4.40 3.06 4.77 -1.26 -4.80 117.00 112.69 3n0t n LEU 128 Ca 0.31 -1.27 -0.44 0.00 -0.03 0.00 0.00 56.01 54.57 3n0t n LEU 128 Cb 1.31 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 42.08 3n0t n LEU 128 CO 0.33 0.64 0.59 -0.22 -1.33 0.00 0.00 177.39 177.40 3n0t s LEU 129 N -1.20 5.16 0.18 2.23 2.96 -0.10 -4.82 118.68 123.09 3n0t s LEU 129 Ca 0.35 -1.50 -0.05 0.00 -0.22 0.00 0.00 54.13 52.71 3n0t s LEU 129 Cb 0.19 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3n0t s LEU 129 CO 0.26 -1.16 0.21 0.42 -1.32 0.00 0.00 176.35 174.76 3n0t s THR 130 N 2.89 0.05 0.15 3.68 -4.23 -1.26 -4.85 115.64 112.06 3n0t s THR 130 Ca 0.18 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 58.90 3n0t s THR 130 Cb -0.18 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 3n0t s THR 130 CO 0.04 -0.22 1.49 0.58 -0.54 0.00 0.00 174.62 175.96 3n0t h VAL 131 N 2.61 1.27 -0.84 2.29 2.07 -1.99 -2.60 116.25 119.06 3n0t h VAL 131 Ca -0.33 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 65.64 3n0t h VAL 131 Cb 1.23 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3n0t h VAL 131 CO 0.50 0.52 0.55 -0.33 0.02 0.00 0.00 177.57 178.84 3n0t h GLU 132 N 0.74 1.08 -0.28 1.57 3.07 -1.98 0.63 114.58 119.40 3n0t h GLU 132 Ca 0.06 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3n0t h GLU 132 Cb 0.98 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3n0t h GLU 132 CO 0.09 0.71 -0.16 1.96 -1.40 0.00 0.00 179.01 180.21 3n0t h GLN 133 N 1.11 0.60 -0.92 2.33 1.08 -1.87 -1.86 115.11 115.58 3n0t h GLN 133 Ca 0.32 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3n0t h GLN 133 Cb -0.09 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 3n0t h GLN 133 CO -0.08 0.85 0.52 0.00 -0.95 0.00 0.00 178.83 179.17 3n0t h ALA 134 N 0.73 1.17 -0.39 3.87 0.00 -1.07 0.43 119.26 124.01 3n0t h ALA 134 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3n0t h ALA 134 Cb 0.69 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n0t h ALA 134 CO 0.05 0.67 -0.19 -0.07 0.00 0.00 0.00 179.25 179.71 3n0t h LEU 135 N 1.28 0.83 -1.07 0.00 3.38 -0.84 -1.98 115.31 116.90 3n0t h LEU 135 Ca 0.33 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3n0t h LEU 135 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3n0t h LEU 135 CO -0.05 1.05 -0.26 0.00 0.09 0.00 0.00 178.44 179.27 3n0t h ALA 136 N 0.81 1.02 0.10 1.53 0.00 -1.11 -0.41 119.26 121.20 3n0t h ALA 136 Ca 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3n0t h ALA 136 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3n0t h ALA 136 CO 0.06 0.32 -0.05 -0.44 0.00 0.00 0.00 179.25 179.14 3n0t h ASP 137 N 0.00 -0.11 -0.89 0.00 3.32 -0.72 -2.55 116.42 115.47 3n0t h ASP 137 Ca -0.00 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3n0t h ASP 137 Cb 0.78 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 3n0t h ASP 137 CO 0.03 0.21 0.58 -0.26 -1.72 0.00 0.00 179.24 178.08 3n0t h PHE 138 N -0.44 1.09 -0.08 4.55 0.04 -0.94 -1.76 116.94 119.40 3n0t h PHE 138 Ca -0.01 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.79 3n0t h PHE 138 Cb 0.37 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3n0t h PHE 138 CO 0.03 0.64 0.02 0.00 -0.60 0.00 0.00 178.31 178.40 3n0t h ALA 139 N 1.36 0.09 -0.16 2.45 0.00 -1.09 -0.91 119.26 120.99 3n0t h ALA 139 Ca 0.35 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 3n0t h ALA 139 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3n0t h ALA 139 CO -0.11 -0.44 -0.48 0.93 0.00 0.00 0.00 179.25 179.15 3n0t h GLU 140 N 0.06 0.42 -0.40 0.00 5.08 -1.30 -1.67 114.58 116.77 3n0t h GLU 140 Ca 0.04 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 3n0t h GLU 140 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3n0t h GLU 140 CO -0.04 0.81 -0.36 1.25 -1.00 0.00 0.00 179.01 179.66 3n0t h LEU 141 N 0.33 1.00 -0.43 1.33 5.85 -1.26 -2.14 115.31 119.99 3n0t h LEU 141 Ca 0.02 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.30 3n0t h LEU 141 Cb 0.97 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3n0t h LEU 141 CO 0.08 1.25 0.28 -0.07 -0.34 0.00 0.00 178.44 179.64 3n0t h LEU 142 N 0.77 0.48 -0.33 2.25 3.38 -0.92 -0.38 115.31 120.57 3n0t h LEU 142 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3n0t h LEU 142 Cb 0.96 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3n0t h LEU 142 CO 0.09 0.35 0.20 0.03 0.09 0.00 0.00 178.44 179.20 3n0t h ARG 143 N 0.57 0.44 -0.63 1.13 3.08 -1.28 -2.34 114.38 115.35 3n0t h ARG 143 Ca 0.16 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3n0t h ARG 143 Cb -0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3n0t h ARG 143 CO -0.04 0.33 0.09 0.00 -1.07 0.00 0.00 179.97 179.28 3n0t h ALA 144 N 1.09 0.83 -0.54 0.04 0.00 -1.23 -2.50 119.26 116.96 3n0t h ALA 144 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n0t h ALA 144 Cb -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3n0t h ALA 144 CO -0.02 0.60 0.35 -0.07 0.00 0.00 0.00 179.25 180.10 3n0t h LEU 145 N 0.95 0.63 -0.24 0.00 3.38 -0.95 -1.96 115.31 117.13 3n0t h LEU 145 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3n0t h LEU 145 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3n0t h LEU 145 CO 0.01 0.48 0.14 0.03 0.09 0.00 0.00 178.44 179.19 3n0t h ARG 146 N 0.73 0.34 0.72 1.13 3.08 -1.25 -2.06 114.38 117.06 3n0t h ARG 146 Ca 0.20 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 3n0t h ARG 146 Cb -0.06 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 29.93 3n0t h ARG 146 CO -0.04 0.29 -0.35 0.00 -1.07 0.00 0.00 179.97 178.81 3n0t h ARG 147 N 0.29 -0.93 -0.82 0.04 3.08 -1.34 0.30 114.38 115.00 3n0t h ARG 147 Ca 0.09 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.26 3n0t h ARG 147 Cb 0.05 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3n0t h ARG 147 CO -0.01 -0.59 0.50 -0.44 -1.07 0.00 0.00 179.97 178.35 3n0t h ASP 148 N -1.11 0.78 1.15 7.04 5.19 -1.41 -2.45 116.42 125.61 3n0t h ASP 148 Ca -0.10 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3n0t h ASP 148 Cb 0.77 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3n0t h ASP 148 CO 0.16 0.50 -0.21 0.18 -3.12 0.00 0.00 179.24 176.75 3n0t n LEU 149 N -4.65 0.62 -2.48 1.55 4.77 -0.77 -4.95 117.00 111.08 3n0t n LEU 149 Ca 0.11 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3n0t n LEU 149 Cb 0.17 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 3n0t n LEU 149 CO 0.31 -0.09 0.06 0.61 -1.33 0.00 0.00 177.39 176.95 3n0t n GLY 150 N 1.36 -0.07 2.45 -0.72 0.00 -0.84 -4.99 105.19 102.39 3n0t n GLY 150 Ca 0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3n0t n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t n ALA 151 N -2.87 3.85 0.23 4.61 0.00 0.99 -4.91 120.51 122.42 3n0t n ALA 151 Ca -0.17 -3.33 0.18 0.00 0.00 0.00 0.00 53.44 50.12 3n0t n ALA 151 Cb 0.60 -0.62 0.86 0.00 0.00 0.00 0.00 19.45 20.29 3n0t n ALA 151 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3n0t h GLN 152 N 2.45 0.00 -0.45 0.00 7.50 -1.93 -1.54 115.11 121.15 3n0t h GLN 152 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 3n0t h GLN 152 Cb 1.36 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.89 3n0t h GLN 152 CO 0.50 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.58 3n0t n ASP 153 N -3.52 3.49 -4.62 1.46 8.00 -1.26 -4.96 116.55 115.14 3n0t n ASP 153 Ca 0.01 -2.19 -0.42 0.00 0.71 0.00 0.00 54.79 52.90 3n0t n ASP 153 Cb 0.36 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 3n0t n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n0t s ALA 154 N -1.35 3.51 0.66 2.24 0.00 -0.58 -4.94 121.76 121.30 3n0t s ALA 154 Ca 0.34 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 3n0t s ALA 154 Cb 0.20 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 3n0t s ALA 154 CO 0.19 -1.33 1.25 -2.14 0.00 0.00 0.00 175.76 173.73 3n0t s PRO 155 N 3.26 2.54 -0.07 0.00 0.02 -1.26 -4.71 135.00 134.78 3n0t s PRO 155 Ca 0.38 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.39 3n0t s PRO 155 Cb -0.13 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 3n0t s PRO 155 CO 0.14 -1.57 -0.25 0.00 -0.33 0.00 0.00 177.00 174.99 3n0t s ALA 156 N -1.58 2.17 -0.23 -1.55 0.00 -1.26 -1.41 121.76 117.90 3n0t s ALA 156 Ca 0.79 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 3n0t s ALA 156 Cb -0.34 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3n0t s ALA 156 CO 0.39 0.38 -0.02 0.42 0.00 0.00 0.00 175.76 176.94 3n0t s ILE 157 N -0.01 3.53 -0.02 0.00 -1.09 0.17 -0.97 121.20 122.80 3n0t s ILE 157 Ca -0.08 -0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 57.56 3n0t s ILE 157 Cb -0.15 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3n0t s ILE 157 CO 0.05 0.37 0.95 0.00 -1.23 0.00 0.00 174.94 175.08 3n0t s ALA 158 N 1.49 3.21 0.00 9.38 0.00 0.16 -0.85 121.76 135.15 3n0t s ALA 158 Ca 0.05 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.56 3n0t s ALA 158 Cb -0.15 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3n0t s ALA 158 CO -0.02 -0.25 -0.23 -0.06 0.00 0.00 0.00 175.76 175.19 3n0t s PHE 159 N 1.09 2.07 -0.25 0.00 0.08 1.00 -0.70 117.98 121.27 3n0t s PHE 159 Ca 0.50 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.88 3n0t s PHE 159 Cb -0.20 -1.30 0.16 0.00 -0.57 0.00 0.00 43.02 41.10 3n0t s PHE 159 CO 0.26 0.01 1.19 0.20 -0.10 0.00 0.00 175.22 176.78 3n0t s GLY 160 N -0.77 -0.02 0.10 4.36 0.00 -0.93 -2.01 107.32 108.05 3n0t s GLY 160 Ca 0.09 2.67 0.10 0.00 0.00 0.00 0.00 44.72 47.58 3n0t s GLY 160 CO 0.00 1.39 -0.23 -0.32 0.00 0.00 0.00 173.10 173.94 3n0t s GLY 161 N -0.59 1.58 0.00 0.20 0.00 -1.26 -1.01 107.32 106.25 3n0t s GLY 161 Ca 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3n0t s GLY 161 CO -0.06 -1.33 0.00 -1.26 0.00 0.00 0.00 173.10 170.46 3n0t n SER 162 N 1.09 0.00 0.21 1.64 2.88 0.32 -0.65 113.62 119.12 3n0t n SER 162 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 3n0t n SER 162 Cb 0.53 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.80 3n0t n SER 162 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3n0t h TYR 163 N 0.00 0.00 -0.12 0.66 3.20 -1.90 0.34 116.97 119.15 3n0t h TYR 163 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3n0t h TYR 163 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3n0t h TYR 163 CO 0.00 0.00 -0.13 0.78 -1.64 0.00 0.00 178.16 177.17 3n0t h GLY 164 N 0.00 0.20 1.64 1.82 0.00 -1.13 -2.16 103.07 103.44 3n0t h GLY 164 Ca 0.08 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3n0t h GLY 164 CO -0.00 0.11 -0.76 -1.33 0.00 0.00 0.00 176.54 174.56 3n0t h GLY 165 N 0.68 0.39 0.86 4.60 0.00 -0.76 -1.50 103.07 107.33 3n0t h GLY 165 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3n0t h GLY 165 CO 0.02 0.51 0.04 -0.33 0.00 0.00 0.00 176.54 176.78 3n0t h MET 166 N 0.23 0.19 -0.85 4.80 2.07 -1.36 -1.65 114.93 118.36 3n0t h MET 166 Ca -0.03 -0.04 0.04 0.00 -2.07 0.00 0.00 59.70 57.60 3n0t h MET 166 Cb 1.33 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.99 3n0t h MET 166 CO 0.13 0.31 0.56 -0.07 1.07 0.00 0.00 176.91 178.90 3n0t h LEU 167 N 0.03 0.90 -0.18 1.22 3.38 -1.28 0.13 115.31 119.51 3n0t h LEU 167 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3n0t h LEU 167 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n0t h LEU 167 CO -0.00 0.61 -0.08 0.28 0.09 0.00 0.00 178.44 179.34 3n0t h SER 168 N 1.03 0.39 0.41 -0.43 0.02 -1.08 0.76 113.55 114.65 3n0t h SER 168 Ca 0.34 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3n0t h SER 168 Cb 0.07 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3n0t h SER 168 CO -0.11 0.70 -0.21 0.00 -1.14 0.00 0.00 176.83 176.08 3n0t h ALA 169 N 0.70 -0.57 -0.90 3.77 0.00 -1.07 -2.45 119.26 118.74 3n0t h ALA 169 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3n0t h ALA 169 Cb 0.55 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3n0t h ALA 169 CO 0.02 -0.82 0.58 1.88 0.00 0.00 0.00 179.25 180.92 3n0t h TYR 170 N -0.57 1.02 -0.38 0.00 0.05 -0.69 0.28 116.97 116.68 3n0t h TYR 170 Ca -0.05 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 3n0t h TYR 170 Cb 0.44 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3n0t h TYR 170 CO -0.06 0.52 -0.31 1.25 -1.05 0.00 0.00 178.16 178.51 3n0t h LEU 171 N 0.99 0.86 -0.33 3.88 5.85 -0.77 -2.14 115.31 123.65 3n0t h LEU 171 Ca 0.39 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3n0t h LEU 171 Cb 0.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3n0t h LEU 171 CO -0.15 1.11 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.88 3n0t h ARG 172 N 0.70 0.65 -0.71 1.25 9.65 -0.80 -0.67 114.38 124.45 3n0t h ARG 172 Ca 0.08 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.65 3n0t h ARG 172 Cb 0.86 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 3n0t h ARG 172 CO 0.08 0.82 0.19 0.52 2.80 0.00 0.00 179.97 184.38 3n0t h MET 173 N 0.43 1.11 0.00 0.20 2.86 -0.95 -3.09 114.93 115.48 3n0t h MET 173 Ca 0.08 -0.25 -0.32 0.00 -2.06 0.00 0.00 59.70 57.15 3n0t h MET 173 Cb 0.58 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 3n0t h MET 173 CO 0.03 0.96 -2.01 1.63 1.06 0.00 0.00 176.91 178.58 3n0t n LYS 174 N -4.24 0.66 -2.81 1.72 4.76 -0.81 -4.62 118.16 112.82 3n0t n LYS 174 Ca 0.05 0.15 -0.22 0.00 -2.87 0.00 0.00 58.31 55.43 3n0t n LYS 174 Cb 0.24 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.75 3n0t n LYS 174 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3n0t n TYR 175 N -2.90 2.57 0.57 2.13 4.01 -0.26 -4.95 117.16 118.33 3n0t n TYR 175 Ca -0.24 -3.49 0.10 0.00 -0.16 0.00 0.00 57.90 54.11 3n0t n TYR 175 Cb 1.09 -0.34 0.41 0.00 -0.31 0.00 0.00 39.34 40.20 3n0t n TYR 175 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3n0t n PRO 176 N -0.17 0.06 0.12 -0.72 -0.04 -1.17 -1.34 135.00 131.75 3n0t n PRO 176 Ca 0.28 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3n0t n PRO 176 Cb 0.60 -1.61 0.38 0.00 -0.04 0.00 0.00 33.50 32.83 3n0t n PRO 176 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3n0t h HIS 177 N 0.00 0.00 0.00 0.54 2.07 -1.92 -3.35 115.15 112.49 3n0t h HIS 177 Ca 0.00 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.20 3n0t h HIS 177 Cb 0.35 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.28 3n0t h HIS 177 CO 0.00 0.00 -2.23 1.28 -3.07 0.00 0.00 177.93 173.91 3n0t n LEU 178 N -2.38 2.85 -4.20 6.12 4.77 -0.45 -4.95 117.00 118.75 3n0t n LEU 178 Ca 0.05 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 3n0t n LEU 178 Cb 0.44 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 3n0t n LEU 178 CO 0.31 0.85 -0.55 0.68 -1.33 0.00 0.00 177.39 177.34 3n0t s VAL 179 N -2.43 1.95 -1.03 4.08 -7.23 -0.68 -4.30 120.40 110.76 3n0t s VAL 179 Ca -0.28 -0.96 0.28 0.00 -1.81 0.00 0.00 61.98 59.20 3n0t s VAL 179 Cb 0.07 -1.69 0.18 0.00 0.56 0.00 0.00 36.38 35.51 3n0t s VAL 179 CO 0.51 0.54 1.78 0.00 -0.31 0.00 0.00 175.10 177.62 3n0t n ALA 180 N 3.48 2.70 0.00 1.32 0.00 -0.15 -4.41 120.51 123.45 3n0t n ALA 180 Ca -0.19 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3n0t n ALA 180 Cb 0.53 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3n0t n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n0t n GLY 181 N 1.49 0.52 2.94 0.00 0.00 -1.24 -4.82 105.19 104.08 3n0t n GLY 181 Ca 0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 3n0t n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t s ALA 182 N -2.00 -0.23 -0.43 4.61 0.00 -0.43 -0.67 121.76 122.63 3n0t s ALA 182 Ca 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 3n0t s ALA 182 Cb 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3n0t s ALA 182 CO 0.00 -0.10 0.30 -1.17 0.00 0.00 0.00 175.76 174.79 3n0t s LEU 183 N 0.59 5.21 -0.86 0.00 2.96 0.13 -1.34 118.68 125.36 3n0t s LEU 183 Ca -0.04 -1.22 -0.12 0.00 -0.22 0.00 0.00 54.13 52.52 3n0t s LEU 183 Cb -0.06 -2.09 0.23 0.00 0.50 0.00 0.00 46.19 44.76 3n0t s LEU 183 CO -0.03 -0.52 0.80 0.00 -1.32 0.00 0.00 176.35 175.28 3n0t s ALA 184 N 1.57 4.17 -0.23 5.97 0.00 0.77 -2.19 121.76 131.82 3n0t s ALA 184 Ca 0.03 -3.43 -0.23 0.00 0.00 0.00 0.00 51.96 48.34 3n0t s ALA 184 Cb -0.22 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 3n0t s ALA 184 CO 0.06 -2.25 0.76 0.00 0.00 0.00 0.00 175.76 174.33 3n0t s ALA 185 N -0.15 3.61 -1.27 0.00 0.00 -0.18 -1.34 121.76 122.43 3n0t s ALA 185 Ca 0.20 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 3n0t s ALA 185 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3n0t s ALA 185 CO -0.08 -0.82 0.60 0.43 0.00 0.00 0.00 175.76 175.88 3n0t n SER 186 N 5.73 -2.90 -4.29 0.00 7.64 0.43 -0.52 113.62 119.71 3n0t n SER 186 Ca 0.03 -1.06 -0.45 0.00 1.01 0.00 0.00 58.87 58.40 3n0t n SER 186 Cb 0.48 -2.96 -0.05 0.00 -1.01 0.00 0.00 64.21 60.67 3n0t n SER 186 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n0t s ALA 187 N -3.71 3.70 -1.25 -0.43 0.00 -1.26 -3.02 121.76 115.79 3n0t s ALA 187 Ca 0.27 -2.72 -0.09 0.00 0.00 0.00 0.00 51.96 49.42 3n0t s ALA 187 Cb -0.11 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.70 3n0t s ALA 187 CO 0.89 -2.06 2.47 -0.35 0.00 0.00 0.00 175.76 176.71 3n0t n PRO 188 N 4.90 2.79 -0.18 0.00 -0.04 -1.26 -4.46 135.00 136.74 3n0t n PRO 188 Ca -0.07 -1.88 0.14 0.00 -0.04 0.00 0.00 63.50 61.65 3n0t n PRO 188 Cb 0.41 -2.69 0.47 0.00 -0.04 0.00 0.00 33.50 31.66 3n0t n PRO 188 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3n0t h VAL 189 N 3.37 0.81 0.01 0.52 -1.51 -1.91 -2.55 116.25 114.99 3n0t h VAL 189 Ca 0.66 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.96 3n0t h VAL 189 Cb 0.28 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3n0t h VAL 189 CO 1.66 0.09 -0.00 -0.07 -1.23 0.00 0.00 177.57 178.01 3n0t h LEU 190 N 0.48 -0.01 -1.22 4.19 3.38 -1.66 -3.28 115.31 117.19 3n0t h LEU 190 Ca 0.38 -0.79 0.13 0.00 0.09 0.00 0.00 57.88 57.69 3n0t h LEU 190 Cb 0.80 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 3n0t h LEU 190 CO -0.13 0.88 0.58 0.00 0.09 0.00 0.00 178.44 179.85 3n0t h ALA 191 N -0.16 1.75 0.00 1.53 0.00 -1.08 -1.93 119.26 119.37 3n0t h ALA 191 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3n0t h ALA 191 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3n0t h ALA 191 CO 0.00 0.02 -0.48 -0.39 0.00 0.00 0.00 179.25 178.40 3n0t h VAL 192 N 0.77 1.14 -0.18 0.00 -1.51 -1.60 -2.79 116.25 112.09 3n0t h VAL 192 Ca 0.45 -1.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 3n0t h VAL 192 Cb 0.63 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3n0t h VAL 192 CO -0.21 0.47 0.00 0.00 -1.23 0.00 0.00 177.57 176.60 3n0t n ALA 193 N -2.36 2.48 -1.23 5.19 0.00 -0.77 -2.07 120.51 121.75 3n0t n ALA 193 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 3n0t n ALA 193 Cb 0.55 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3n0t n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n0t n GLY 194 N 0.83 0.89 3.86 0.00 0.00 -1.05 -4.51 105.19 105.21 3n0t n GLY 194 Ca 0.08 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3n0t n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n0t s LEU 195 N -1.61 4.37 0.00 0.99 1.43 -0.92 -4.99 118.68 117.94 3n0t s LEU 195 Ca 0.00 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3n0t s LEU 195 Cb 0.00 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.25 3n0t s LEU 195 CO 0.00 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3n0t n GLY 196 N 1.04 -1.69 3.66 -3.19 0.00 -1.26 -3.90 105.19 99.84 3n0t n GLY 196 Ca -0.08 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3n0t n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n0t s ASP 197 N -4.00 6.59 0.64 1.61 -1.08 -1.26 -4.96 116.67 114.22 3n0t s ASP 197 Ca 0.00 0.71 0.41 0.00 -0.52 0.00 0.00 52.55 53.15 3n0t s ASP 197 Cb 0.00 -2.31 2.24 0.00 -1.46 0.00 0.00 42.92 41.39 3n0t s ASP 197 CO 0.00 -0.20 2.33 0.77 0.52 0.00 0.00 175.17 178.58 3n0t h SER 198 N 7.47 0.00 0.17 -0.34 4.64 -1.94 -1.66 113.55 121.89 3n0t h SER 198 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3n0t h SER 198 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3n0t h SER 198 CO 0.75 0.00 -0.13 0.59 -0.87 0.00 0.00 176.83 177.17 3n0t n ASN 199 N -3.27 1.00 0.02 4.97 3.02 -1.26 -0.95 115.26 118.79 3n0t n ASN 199 Ca -0.03 -1.03 -0.13 0.00 -0.03 0.00 0.00 54.58 53.37 3n0t n ASN 199 Cb 0.09 0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.21 3n0t n ASN 199 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3n0t h GLN 200 N 1.38 -0.04 0.08 3.52 -0.00 -1.61 -2.93 115.11 115.51 3n0t h GLN 200 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 3n0t h GLN 200 Cb 0.44 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.91 3n0t h GLN 200 CO 0.00 0.31 -0.19 0.35 0.00 0.00 0.00 178.83 179.31 3n0t h PHE 201 N -0.40 -0.49 0.00 3.99 3.57 -1.80 -1.30 116.94 120.50 3n0t h PHE 201 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3n0t h PHE 201 Cb 0.37 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3n0t h PHE 201 CO 0.05 -0.27 -0.04 0.74 -2.23 0.00 0.00 178.31 176.55 3n0t h PHE 202 N -0.35 0.00 -0.40 0.41 0.04 -1.79 -2.01 116.94 112.84 3n0t h PHE 202 Ca 0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 3n0t h PHE 202 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3n0t h PHE 202 CO -0.20 0.04 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.36 3n0t h ARG 203 N 0.00 0.78 -0.41 1.51 2.43 -1.35 -2.23 114.38 115.11 3n0t h ARG 203 Ca -0.00 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.76 3n0t h ARG 203 Cb 0.83 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3n0t h ARG 203 CO 0.01 0.91 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.75 3n0t h ASP 204 N 0.59 0.80 -0.26 -3.80 5.19 -1.02 -2.05 116.42 115.87 3n0t h ASP 204 Ca 0.10 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 3n0t h ASP 204 Cb 0.63 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3n0t h ASP 204 CO 0.04 0.98 0.09 0.58 -3.12 0.00 0.00 179.24 177.81 3n0t h VAL 205 N 0.70 1.18 -0.60 -1.35 2.07 -1.35 -2.78 116.25 114.13 3n0t h VAL 205 Ca 0.10 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3n0t h VAL 205 Cb 0.70 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3n0t h VAL 205 CO 0.05 0.19 0.32 0.74 0.02 0.00 0.00 177.57 178.89 3n0t h THR 206 N 0.26 0.97 -0.86 2.57 2.02 -1.26 -2.63 112.91 113.98 3n0t h THR 206 Ca 0.08 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.11 3n0t h THR 206 Cb 0.20 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3n0t h THR 206 CO -0.01 0.11 0.56 0.00 0.37 0.00 0.00 175.52 176.56 3n0t h ALA 207 N 1.31 1.54 -0.51 6.16 0.00 -1.25 0.13 119.26 126.64 3n0t h ALA 207 Ca 0.27 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3n0t h ALA 207 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3n0t h ALA 207 CO -0.17 0.34 -0.04 -0.44 0.00 0.00 0.00 179.25 178.95 3n0t h ASP 208 N 0.99 0.86 0.26 0.00 3.45 -1.19 0.26 116.42 121.04 3n0t h ASP 208 Ca 0.36 -0.23 -0.24 0.00 0.43 0.00 0.00 57.03 57.35 3n0t h ASP 208 Cb 0.17 -0.23 0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3n0t h ASP 208 CO -0.13 0.94 -0.96 -0.26 -1.57 0.00 0.00 179.24 177.26 3n0t h PHE 209 N 0.81 0.71 -0.68 4.55 0.04 -1.23 -3.02 116.94 118.12 3n0t h PHE 209 Ca 0.15 -0.39 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3n0t h PHE 209 Cb 0.53 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3n0t h PHE 209 CO 0.03 1.21 0.25 1.49 -0.60 0.00 0.00 178.31 180.69 3n0t h GLU 210 N 0.27 1.04 -0.15 1.51 4.57 -0.56 -1.28 114.58 119.98 3n0t h GLU 210 Ca -0.09 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 3n0t h GLU 210 Cb 1.60 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 3n0t h GLU 210 CO 0.17 0.88 -0.02 0.78 -1.18 0.00 0.00 179.01 179.64 3n0t h GLY 211 N 0.98 0.23 0.27 1.92 0.00 -0.50 -2.91 103.07 103.07 3n0t h GLY 211 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3n0t h GLY 211 CO -0.01 0.11 -0.07 -1.61 0.00 0.00 0.00 176.54 174.96 3n0t h GLN 212 N 0.21 -0.18 -1.81 4.80 5.75 -1.35 -3.48 115.11 119.06 3n0t h GLN 212 Ca 0.05 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 3n0t h GLN 212 Cb 0.18 0.04 -0.23 0.00 1.07 0.00 0.00 27.48 28.54 3n0t h GLN 212 CO 0.01 0.25 0.15 0.45 -2.65 0.00 0.00 178.83 177.03 3n0t s SER 213 N -5.54 -0.79 0.43 -0.69 0.15 -0.51 -5.04 113.70 101.71 3n0t s SER 213 Ca -0.11 1.26 0.17 0.00 0.70 0.00 0.00 55.95 57.96 3n0t s SER 213 Cb -0.00 1.37 0.99 0.00 -1.71 0.00 0.00 66.02 66.67 3n0t s SER 213 CO 0.42 -0.20 1.94 -0.65 1.20 0.00 0.00 173.24 175.96 3n0t h PRO 214 N 6.73 0.00 -0.32 5.44 0.11 -1.80 -2.36 132.00 139.79 3n0t h PRO 214 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3n0t h PRO 214 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3n0t h PRO 214 CO 0.17 0.24 -0.04 0.87 -0.21 0.00 0.00 178.00 179.03 3n0t h LYS 215 N 0.00 0.52 -0.34 1.05 1.57 -1.93 -2.13 116.57 115.30 3n0t h LYS 215 Ca -0.00 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3n0t h LYS 215 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3n0t h LYS 215 CO 0.03 0.58 0.02 0.00 -0.57 0.00 0.00 179.45 179.51 3n0t h THR 217 N 0.41 1.22 -0.33 0.00 2.02 -1.35 -0.73 112.91 114.14 3n0t h THR 217 Ca 0.10 -0.41 -0.18 0.00 0.77 0.00 0.00 66.41 66.69 3n0t h THR 217 Cb 0.42 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3n0t h THR 217 CO 0.01 0.22 -0.48 -0.61 0.37 0.00 0.00 175.52 175.03 3n0t h GLN 218 N 1.20 0.90 -0.79 6.66 5.75 -1.25 -2.01 115.11 125.58 3n0t h GLN 218 Ca 0.34 -0.53 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3n0t h GLN 218 Cb -0.11 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3n0t h GLN 218 CO -0.08 1.18 0.45 0.78 -2.65 0.00 0.00 178.83 178.51 3n0t h GLY 219 N 0.71 1.17 0.98 2.39 0.00 -1.07 0.26 103.07 107.51 3n0t h GLY 219 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3n0t h GLY 219 CO 0.11 0.50 0.28 -2.08 0.00 0.00 0.00 176.54 175.35 3n0t h VAL 220 N 1.10 1.19 -0.26 4.60 2.07 -1.09 -1.88 116.25 121.98 3n0t h VAL 220 Ca 0.28 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3n0t h VAL 220 Cb 0.01 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3n0t h VAL 220 CO -0.05 0.21 0.09 0.03 0.02 0.00 0.00 177.57 177.87 3n0t h ARG 221 N 0.72 0.40 -0.60 1.57 3.08 -0.62 -2.41 114.38 116.53 3n0t h ARG 221 Ca 0.19 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3n0t h ARG 221 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3n0t h ARG 221 CO -0.03 0.46 0.14 0.93 -1.07 0.00 0.00 179.97 180.40 3n0t h GLU 222 N 0.26 0.96 -0.54 0.04 5.08 -0.48 -2.04 114.58 117.86 3n0t h GLU 222 Ca 0.08 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3n0t h GLU 222 Cb 0.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3n0t h GLU 222 CO -0.00 0.89 0.15 0.00 -1.00 0.00 0.00 179.01 179.04 3n0t h ALA 223 N 1.03 0.71 -0.59 3.43 0.00 -1.31 -1.21 119.26 121.32 3n0t h ALA 223 Ca 0.19 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3n0t h ALA 223 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3n0t h ALA 223 CO 0.00 0.39 0.09 0.74 0.00 0.00 0.00 179.25 180.47 3n0t h PHE 224 N 0.75 1.01 -0.44 0.00 0.04 -1.38 -2.18 116.94 114.74 3n0t h PHE 224 Ca 0.17 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3n0t h PHE 224 Cb 0.31 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3n0t h PHE 224 CO 0.02 0.87 0.07 -0.09 -0.60 0.00 0.00 178.31 178.57 3n0t h ARG 225 N 0.90 0.73 -0.21 1.51 2.43 -1.22 -2.38 114.38 116.15 3n0t h ARG 225 Ca 0.18 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3n0t h ARG 225 Cb 0.41 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3n0t h ARG 225 CO 0.01 0.76 0.12 1.96 -1.51 0.00 0.00 179.97 181.31 3n0t h GLN 226 N 0.59 0.24 -0.53 0.20 4.20 -1.02 0.19 115.11 118.98 3n0t h GLN 226 Ca 0.13 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3n0t h GLN 226 Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3n0t h GLN 226 CO 0.01 0.16 0.11 0.82 -0.67 0.00 0.00 178.83 179.25 3n0t h ILE 227 N 0.25 1.25 -0.70 2.54 2.04 -1.42 -0.42 117.51 121.05 3n0t h ILE 227 Ca 0.08 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3n0t h ILE 227 Cb -0.00 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3n0t h ILE 227 CO -0.04 0.33 0.39 0.50 0.00 0.00 0.00 178.15 179.33 3n0t h LYS 228 N 0.75 0.97 -0.30 2.37 3.64 -1.17 -2.15 116.57 120.68 3n0t h LYS 228 Ca 0.16 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3n0t h LYS 228 Cb 0.37 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3n0t h LYS 228 CO 0.01 0.73 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.26 3n0t h ASP 229 N 0.96 0.71 -0.77 4.20 3.32 -0.35 -2.61 116.42 121.89 3n0t h ASP 229 Ca 0.25 -0.44 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3n0t h ASP 229 Cb 0.04 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3n0t h ASP 229 CO -0.04 1.00 0.27 -0.07 -1.72 0.00 0.00 179.24 178.68 3n0t h LEU 230 N 0.43 1.09 -0.75 1.55 3.38 -1.00 -0.97 115.31 119.04 3n0t h LEU 230 Ca 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3n0t h LEU 230 Cb 0.76 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3n0t h LEU 230 CO 0.06 0.99 0.48 -0.26 0.09 0.00 0.00 178.44 179.80 3n0t h PHE 231 N 1.13 0.96 -0.45 1.13 0.04 -1.36 0.27 116.94 118.66 3n0t h PHE 231 Ca 0.25 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.95 3n0t h PHE 231 Cb 0.27 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3n0t h PHE 231 CO 0.02 0.62 -0.08 -0.07 -0.60 0.00 0.00 178.31 178.21 3n0t h LEU 232 N 1.02 0.78 0.00 1.54 3.38 -1.05 -2.41 115.31 118.57 3n0t h LEU 232 Ca 0.27 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3n0t h LEU 232 Cb -0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3n0t h LEU 232 CO -0.06 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.37 3n0t n GLN 233 N -4.18 0.42 -1.06 1.13 6.02 -0.41 -4.91 117.38 114.40 3n0t n GLN 233 Ca 0.02 0.02 -0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3n0t n GLN 233 Cb 0.35 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 3n0t n GLN 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n0t n GLY 234 N 1.08 0.55 2.49 1.08 0.00 -0.62 -4.96 105.19 104.82 3n0t n GLY 234 Ca 0.14 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 3n0t n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t n ALA 235 N 1.04 6.79 -0.07 4.61 0.00 0.84 -4.70 120.51 129.02 3n0t n ALA 235 Ca -0.02 -3.93 -0.14 0.00 0.00 0.00 0.00 53.44 49.35 3n0t n ALA 235 Cb 0.10 -3.03 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 3n0t n ALA 235 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3n0t h TYR 236 N 4.95 0.73 -0.71 0.00 0.05 -1.87 -3.00 116.97 117.11 3n0t h TYR 236 Ca 0.71 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 59.27 3n0t h TYR 236 Cb 0.36 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 3n0t h TYR 236 CO 1.64 0.98 0.47 -0.44 -1.05 0.00 0.00 178.16 179.76 3n0t h ASP 237 N 0.27 0.75 -0.42 3.88 3.32 -1.85 -2.08 116.42 120.29 3n0t h ASP 237 Ca 0.02 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3n0t h ASP 237 Cb 0.91 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3n0t h ASP 237 CO 0.07 0.52 0.12 0.74 -1.72 0.00 0.00 179.24 178.98 3n0t h THR 238 N 0.88 1.22 -0.29 0.35 2.02 -1.94 0.04 112.91 115.20 3n0t h THR 238 Ca 0.28 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3n0t h THR 238 Cb 0.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3n0t h THR 238 CO -0.08 0.26 0.10 0.58 0.37 0.00 0.00 175.52 176.75 3n0t h VAL 239 N 0.54 1.19 0.20 3.16 2.07 -1.31 0.04 116.25 122.15 3n0t h VAL 239 Ca 0.14 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.05 3n0t h VAL 239 Cb 0.28 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3n0t h VAL 239 CO -0.00 0.21 -0.26 -0.09 0.02 0.00 0.00 177.57 177.44 3n0t h ARG 240 N 0.30 -0.50 0.32 1.57 2.43 -1.31 0.20 114.38 117.39 3n0t h ARG 240 Ca 0.09 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3n0t h ARG 240 Cb 0.23 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3n0t h ARG 240 CO -0.00 -0.34 -0.24 2.35 -1.51 0.00 0.00 179.97 180.23 3n0t h TRP 241 N -0.52 -0.64 -0.04 2.20 2.91 -0.84 1.00 115.95 120.02 3n0t h TRP 241 Ca 0.01 -0.00 -0.23 0.00 1.13 0.00 0.00 58.89 59.80 3n0t h TRP 241 Cb 0.51 0.24 0.02 0.00 -0.51 0.00 0.00 29.16 29.41 3n0t h TRP 241 CO -0.20 -0.37 -0.86 0.93 -1.03 0.00 0.00 178.44 176.91 3n0t h GLU 242 N -0.57 0.65 0.00 2.65 4.39 -1.00 -3.31 114.58 117.39 3n0t h GLU 242 Ca -0.02 -0.65 -0.05 0.00 0.34 0.00 0.00 59.36 58.98 3n0t h GLU 242 Cb 0.49 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3n0t h GLU 242 CO -0.01 1.25 -0.23 0.35 -1.16 0.00 0.00 179.01 179.21 3n0t h PHE 243 N 0.29 0.00 -1.08 4.33 3.57 -0.66 -3.40 116.94 119.99 3n0t h PHE 243 Ca -0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3n0t h PHE 243 Cb 1.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3n0t h PHE 243 CO 0.11 0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.83 3n0t n GLY 244 N 1.12 0.53 3.87 2.40 0.00 0.24 -4.78 105.19 108.57 3n0t n GLY 244 Ca 0.03 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 3n0t n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n0t s THR 245 N -2.20 4.93 -0.05 2.61 -4.23 -0.55 0.11 115.64 116.27 3n0t s THR 245 Ca 0.00 0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 60.82 3n0t s THR 245 Cb 0.00 -3.65 -0.22 0.00 1.34 0.00 0.00 72.50 69.96 3n0t s THR 245 CO 0.00 0.05 1.08 0.00 -0.54 0.00 0.00 174.62 175.21 3n0t s GLN 247 N -3.37 3.75 0.72 0.00 1.11 -1.26 -5.08 119.66 115.52 3n0t s GLN 247 Ca -0.16 0.79 -0.11 0.00 0.01 0.00 0.00 55.36 55.90 3n0t s GLN 247 Cb 0.01 -2.13 0.02 0.00 -1.01 0.00 0.00 33.01 29.90 3n0t s GLN 247 CO 0.72 -0.40 1.07 -1.25 0.01 0.00 0.00 175.29 175.44 3n0t s PRO 248 N -4.63 2.70 0.05 2.91 0.04 -1.26 -4.97 135.00 129.84 3n0t s PRO 248 Ca 0.56 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.72 3n0t s PRO 248 Cb -0.10 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3n0t s PRO 248 CO 0.43 -1.29 -0.26 -0.51 0.04 0.00 0.00 177.00 175.41 3n0t s LEU 249 N -5.67 2.18 0.00 -3.56 1.43 -1.26 -5.04 118.68 106.75 3n0t s LEU 249 Ca 0.59 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3n0t s LEU 249 Cb -0.15 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3n0t s LEU 249 CO 0.55 0.25 0.00 -1.54 0.23 0.00 0.00 176.35 175.85 3n0t n SER 250 N 1.72 0.00 -4.67 2.29 3.41 -1.26 -4.74 113.62 110.36 3n0t n SER 250 Ca -0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.11 3n0t n SER 250 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 3n0t n SER 250 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3n0t n ASP 251 N -0.66 3.32 0.22 4.04 5.68 -1.26 -5.04 116.55 122.85 3n0t n ASP 251 Ca 0.00 -3.25 0.06 0.00 -0.50 0.00 0.00 54.79 51.10 3n0t n ASP 251 Cb 0.00 0.39 0.51 0.00 -1.14 0.00 0.00 41.12 40.88 3n0t n ASP 251 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3n0t h GLU 252 N 0.00 0.00 -0.46 0.11 4.57 -2.00 -2.88 114.58 113.92 3n0t h GLU 252 Ca -0.42 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.68 3n0t h GLU 252 Cb 1.29 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3n0t h GLU 252 CO 0.70 0.23 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.52 3n0t h LYS 253 N 0.00 0.83 -0.54 1.92 3.64 -1.99 -1.75 116.57 118.68 3n0t h LYS 253 Ca -0.00 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.04 3n0t h LYS 253 Cb 0.44 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3n0t h LYS 253 CO 0.03 0.89 0.08 -0.44 -2.27 0.00 0.00 179.45 177.74 3n0t h ASP 254 N 0.68 0.81 -0.58 4.20 3.32 -1.93 -1.41 116.42 121.51 3n0t h ASP 254 Ca 0.13 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3n0t h ASP 254 Cb 0.53 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3n0t h ASP 254 CO 0.03 0.82 0.10 0.25 -1.72 0.00 0.00 179.24 178.71 3n0t h LEU 255 N 0.81 0.92 -0.30 1.55 5.85 -1.31 -0.76 115.31 122.08 3n0t h LEU 255 Ca 0.17 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3n0t h LEU 255 Cb 0.37 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3n0t h LEU 255 CO 0.01 0.94 0.16 0.74 -0.34 0.00 0.00 178.44 179.95 3n0t h THR 256 N 0.86 1.13 -0.27 1.05 2.02 -1.08 -1.96 112.91 114.65 3n0t h THR 256 Ca 0.18 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3n0t h THR 256 Cb 0.41 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3n0t h THR 256 CO 0.01 0.13 0.15 -0.61 0.37 0.00 0.00 175.52 175.57 3n0t h GLN 257 N 0.36 0.30 -0.55 6.66 5.75 -1.02 0.18 115.11 126.79 3n0t h GLN 257 Ca 0.10 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3n0t h GLN 257 Cb 0.06 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3n0t h GLN 257 CO -0.02 0.20 0.30 1.25 -2.65 0.00 0.00 178.83 177.92 3n0t h LEU 258 N 0.31 0.69 -0.37 -2.39 6.46 -1.13 -0.17 115.31 118.72 3n0t h LEU 258 Ca 0.11 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 3n0t h LEU 258 Cb 0.00 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 3n0t h LEU 258 CO -0.05 0.58 0.06 -0.26 -0.62 0.00 0.00 178.44 178.15 3n0t h PHE 259 N 0.74 0.65 -0.42 1.25 0.04 -1.08 0.80 116.94 118.92 3n0t h PHE 259 Ca 0.19 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 3n0t h PHE 259 Cb 0.05 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3n0t h PHE 259 CO -0.01 0.66 -0.02 0.52 -0.60 0.00 0.00 178.31 178.86 3n0t h MET 260 N 0.46 0.69 0.02 1.51 2.86 -0.47 -0.37 114.93 119.62 3n0t h MET 260 Ca 0.11 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3n0t h MET 260 Cb 0.35 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3n0t h MET 260 CO 0.01 0.71 -0.01 0.35 1.06 0.00 0.00 176.91 179.03 3n0t h PHE 261 N 0.64 -0.02 0.16 -0.22 3.57 -0.79 -2.67 116.94 117.62 3n0t h PHE 261 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3n0t h PHE 261 Cb 0.43 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3n0t h PHE 261 CO 0.02 0.35 -0.08 0.00 -2.23 0.00 0.00 178.31 176.37 3n0t h ALA 262 N 0.59 -0.21 -0.65 2.41 0.00 -0.75 -3.15 119.26 117.49 3n0t h ALA 262 Ca -0.00 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3n0t h ALA 262 Cb 0.38 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 3n0t h ALA 262 CO 0.00 -0.54 0.15 -0.09 0.00 0.00 0.00 179.25 178.77 3n0t h ARG 263 N -0.37 0.26 -0.06 0.00 2.43 -1.15 -1.59 114.38 113.90 3n0t h ARG 263 Ca -0.02 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3n0t h ARG 263 Cb 0.29 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3n0t h ARG 263 CO 0.04 0.18 0.05 -0.97 -1.51 0.00 0.00 179.97 177.75 3n0t h ASN 264 N 0.27 0.00 -0.54 -3.80 -1.24 -1.43 -0.58 115.58 108.26 3n0t h ASN 264 Ca 0.35 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.38 3n0t h ASN 264 Cb 0.55 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 3n0t h ASN 264 CO -0.44 0.00 0.36 0.00 -1.29 0.00 0.00 177.43 176.06 3n0t h ALA 265 N 1.96 1.65 -0.10 1.57 0.00 -1.28 -0.50 119.26 122.57 3n0t h ALA 265 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3n0t h ALA 265 Cb 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3n0t h ALA 265 CO -0.00 0.31 -0.17 0.74 0.00 0.00 0.00 179.25 180.14 3n0t h PHE 266 N 0.70 0.35 -0.41 0.00 0.04 -1.18 -2.02 116.94 114.42 3n0t h PHE 266 Ca 0.20 -0.12 0.08 0.00 2.80 0.00 0.00 57.97 60.93 3n0t h PHE 266 Cb -0.03 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 37.98 3n0t h PHE 266 CO -0.00 0.77 -0.02 1.15 -0.60 0.00 0.00 178.31 179.61 3n0t h THR 267 N -0.16 0.67 0.10 -1.55 2.02 -1.27 -0.79 112.91 111.94 3n0t h THR 267 Ca 0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3n0t h THR 267 Cb 0.74 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3n0t h THR 267 CO 0.04 0.02 -0.05 0.58 0.37 0.00 0.00 175.52 176.47 3n0t h VAL 268 N 0.09 0.94 -0.86 3.16 2.07 -1.07 -2.24 116.25 118.33 3n0t h VAL 268 Ca 0.20 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3n0t h VAL 268 Cb 0.29 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3n0t h VAL 268 CO -0.35 0.04 0.48 -0.07 0.02 0.00 0.00 177.57 177.69 3n0t h LEU 269 N -0.21 1.07 -0.35 2.57 3.38 -1.13 -1.33 115.31 119.31 3n0t h LEU 269 Ca -0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3n0t h LEU 269 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3n0t h LEU 269 CO 0.02 0.86 0.02 0.00 0.09 0.00 0.00 178.44 179.43 3n0t h ALA 270 N 1.26 0.46 -0.18 1.53 0.00 -1.12 -2.31 119.26 118.91 3n0t h ALA 270 Ca 0.31 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3n0t h ALA 270 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3n0t h ALA 270 CO -0.05 0.20 -0.59 0.52 0.00 0.00 0.00 179.25 179.34 3n0t h MET 271 N 0.42 0.57 -0.71 0.00 2.86 -1.28 -3.21 114.93 113.57 3n0t h MET 271 Ca 0.10 -0.38 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 3n0t h MET 271 Cb 0.42 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.03 3n0t h MET 271 CO 0.01 0.99 0.20 -1.33 1.06 0.00 0.00 176.91 177.85 3n0t n MET 272 N -3.94 4.07 -1.19 1.72 2.81 -0.51 -1.60 117.12 118.48 3n0t n MET 272 Ca -0.04 -3.10 -0.41 0.00 -1.81 0.00 0.00 57.70 52.35 3n0t n MET 272 Cb 0.63 -2.24 -0.04 0.00 -0.71 0.00 0.00 33.22 30.85 3n0t n MET 272 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3n0t n ASP 273 N 0.07 3.05 -4.86 7.83 2.03 -0.87 -4.69 116.55 119.12 3n0t n ASP 273 Ca 0.38 -2.66 -0.33 0.00 0.52 0.00 0.00 54.79 52.69 3n0t n ASP 273 Cb 1.35 -1.19 -0.06 0.00 -0.72 0.00 0.00 41.12 40.50 3n0t n ASP 273 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3n0t s TYR 274 N 4.53 3.50 -2.00 -0.67 2.02 -1.26 -4.28 117.35 119.18 3n0t s TYR 274 Ca 0.54 0.94 0.08 0.00 -0.37 0.00 0.00 57.07 58.27 3n0t s TYR 274 Cb 0.14 -2.30 0.49 0.00 -0.40 0.00 0.00 41.96 39.89 3n0t s TYR 274 CO 0.07 0.34 1.17 -0.35 -1.57 0.00 0.00 175.55 175.21 3n0t n PRO 275 N 0.25 0.83 -3.94 -1.71 -0.04 -1.26 0.30 135.00 129.42 3n0t n PRO 275 Ca -0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 3n0t n PRO 275 Cb 0.52 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 3n0t n PRO 275 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n0t s TYR 276 N -2.00 0.30 0.45 0.54 -0.85 -1.26 -4.44 117.35 110.09 3n0t s TYR 276 Ca 0.12 -0.76 -0.25 0.00 -0.52 0.00 0.00 57.07 55.67 3n0t s TYR 276 Cb 0.06 -0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.15 3n0t s TYR 276 CO 0.09 -0.51 1.34 -2.14 -1.52 0.00 0.00 175.55 172.82 3n0t s PRO 277 N -3.89 3.68 0.21 -3.49 0.02 -1.26 -3.98 135.00 126.30 3n0t s PRO 277 Ca 0.07 2.21 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3n0t s PRO 277 Cb 0.06 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 3n0t s PRO 277 CO -0.10 -0.75 0.15 0.95 -0.33 0.00 0.00 177.00 176.93 3n0t s THR 278 N -1.28 0.00 -0.41 0.99 -4.23 -0.31 -4.91 115.64 105.49 3n0t s THR 278 Ca 0.62 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 3n0t s THR 278 Cb -0.39 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.29 3n0t s THR 278 CO 0.49 0.00 0.87 -0.67 -0.54 0.00 0.00 174.62 174.77 3n0t n ASP 279 N -0.36 -0.47 -0.00 3.99 -0.08 -1.26 -0.17 116.55 118.20 3n0t n ASP 279 Ca 0.02 -3.26 -0.00 0.00 -1.51 0.00 0.00 54.79 50.05 3n0t n ASP 279 Cb 0.66 0.38 -0.00 0.00 2.34 0.00 0.00 41.12 44.50 3n0t n ASP 279 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3n0t n PHE 280 N 0.41 0.01 0.08 -0.67 7.35 -1.26 -4.59 117.46 118.79 3n0t n PHE 280 Ca 0.17 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.76 3n0t n PHE 280 Cb 0.67 -0.18 -0.02 0.00 0.35 0.00 0.00 39.48 40.29 3n0t n PHE 280 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3n0t h LEU 281 N -0.02 0.37 0.00 -2.13 4.07 -1.99 -3.48 115.31 112.14 3n0t h LEU 281 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3n0t h LEU 281 Cb 0.01 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3n0t h LEU 281 CO 0.00 1.10 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 3n0t n GLY 282 N 0.91 0.29 3.70 0.83 0.00 -1.26 -5.14 105.19 104.53 3n0t n GLY 282 Ca -0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3n0t n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n0t s PRO 283 N -2.00 4.21 0.01 1.61 0.02 -1.26 -4.01 135.00 133.57 3n0t s PRO 283 Ca 0.00 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 3n0t s PRO 283 Cb 0.00 -3.39 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 3n0t s PRO 283 CO 0.00 -0.67 0.01 -0.51 -0.33 0.00 0.00 177.00 175.50 3n0t s LEU 284 N 1.93 2.05 0.96 -5.54 1.43 0.76 -4.88 118.68 115.38 3n0t s LEU 284 Ca 0.72 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.38 3n0t s LEU 284 Cb -0.42 0.17 0.20 0.00 0.03 0.00 0.00 46.19 46.17 3n0t s LEU 284 CO 0.32 -0.21 1.32 -2.16 0.23 0.00 0.00 176.35 175.84 3n0t s PRO 285 N -0.97 0.67 0.52 1.29 0.04 -1.26 -1.16 135.00 134.13 3n0t s PRO 285 Ca -0.11 -0.42 -0.22 0.00 0.04 0.00 0.00 61.00 60.29 3n0t s PRO 285 Cb -0.07 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 3n0t s PRO 285 CO -0.00 -2.39 1.36 0.00 0.04 0.00 0.00 177.00 176.00 3n0t s ALA 286 N -3.88 2.90 -1.19 8.56 0.00 -1.26 -3.63 121.76 123.28 3n0t s ALA 286 Ca 0.74 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.73 3n0t s ALA 286 Cb -0.04 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.55 3n0t s ALA 286 CO 0.53 -1.30 0.72 0.09 0.00 0.00 0.00 175.76 175.80 3n0t n ASN 287 N -0.85 -4.57 0.24 0.00 3.02 0.15 -4.77 115.26 108.48 3n0t n ASN 287 Ca 0.09 -1.20 0.16 0.00 -0.03 0.00 0.00 54.58 53.60 3n0t n ASN 287 Cb 0.45 -2.25 0.84 0.00 -0.61 0.00 0.00 39.78 38.20 3n0t n ASN 287 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3n0t h PRO 288 N -2.38 0.00 -0.06 3.52 0.13 -1.76 -2.71 132.00 128.73 3n0t h PRO 288 Ca -0.70 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.41 3n0t h PRO 288 Cb 1.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 3n0t h PRO 288 CO 0.50 0.00 -0.04 0.28 -0.23 0.00 0.00 178.00 178.51 3n0t h VAL 289 N 0.00 1.34 -0.20 1.56 2.07 -1.89 -1.60 116.25 117.53 3n0t h VAL 289 Ca 0.00 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3n0t h VAL 289 Cb 0.07 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3n0t h VAL 289 CO 0.00 0.31 0.04 0.50 0.02 0.00 0.00 177.57 178.44 3n0t h LYS 290 N -0.26 0.12 -0.90 1.57 3.64 -1.86 -1.63 116.57 117.26 3n0t h LYS 290 Ca 0.01 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3n0t h LYS 290 Cb 0.51 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 3n0t h LYS 290 CO 0.01 0.08 0.58 0.28 -2.27 0.00 0.00 179.45 178.14 3n0t h VAL 291 N 0.13 1.16 0.13 2.00 2.07 -1.51 0.14 116.25 120.37 3n0t h VAL 291 Ca 0.09 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3n0t h VAL 291 Cb 0.08 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3n0t h VAL 291 CO -0.12 0.21 -0.06 1.23 0.02 0.00 0.00 177.57 178.85 3n0t h GLY 292 N 1.14 -0.18 1.01 2.17 0.00 -0.95 -1.33 103.07 104.93 3n0t h GLY 292 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 3n0t h GLY 292 CO -0.11 -0.06 0.45 0.00 0.00 0.00 0.00 176.54 176.81 3n0t h ASP 294 N 1.05 0.41 -0.21 0.00 5.19 -0.60 0.05 116.42 122.30 3n0t h ASP 294 Ca 0.27 -0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.46 3n0t h ASP 294 Cb -0.01 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 3n0t h ASP 294 CO -0.05 0.57 -0.34 0.03 -3.12 0.00 0.00 179.24 176.33 3n0t h ARG 295 N 0.40 0.61 -0.06 3.56 3.08 -0.79 -2.70 114.38 118.47 3n0t h ARG 295 Ca 0.08 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3n0t h ARG 295 Cb 0.46 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3n0t h ARG 295 CO 0.03 0.98 0.01 1.25 -1.07 0.00 0.00 179.97 181.16 3n0t h LEU 296 N 0.29 0.11 -1.15 3.04 6.46 -0.94 -3.31 115.31 119.81 3n0t h LEU 296 Ca 0.02 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 3n0t h LEU 296 Cb 0.92 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3n0t h LEU 296 CO 0.08 0.36 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.01 3n0t h LEU 297 N -0.15 0.37 0.00 2.25 3.38 -1.07 -3.09 115.31 117.01 3n0t h LEU 297 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3n0t h LEU 297 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3n0t h LEU 297 CO 0.00 0.57 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 3n0t n SER 298 N -4.19 0.00 -4.80 -0.43 3.41 -1.02 -4.75 113.62 101.84 3n0t n SER 298 Ca -0.00 -0.24 -0.37 0.00 -0.26 0.00 0.00 58.87 57.99 3n0t n SER 298 Cb 0.34 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 3n0t n SER 298 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3n0t s GLU 299 N -2.46 3.98 0.23 4.33 0.41 -1.17 -5.00 118.70 119.02 3n0t s GLU 299 Ca 0.28 0.28 -0.02 0.00 -0.41 0.00 0.00 54.97 55.10 3n0t s GLU 299 Cb 0.18 -3.29 0.23 0.00 -1.78 0.00 0.00 34.13 29.47 3n0t s GLU 299 CO 0.39 0.54 1.62 0.00 -0.49 0.00 0.00 175.26 177.32 3n0t h ALA 300 N 5.42 0.89 -3.16 5.21 0.00 -1.88 -3.42 119.26 122.31 3n0t h ALA 300 Ca -0.48 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 53.41 3n0t h ALA 300 Cb 1.20 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 3n0t h ALA 300 CO 0.66 0.63 -0.52 -0.65 0.00 0.00 0.00 179.25 179.37 3n0t s GLN 301 N -4.40 4.06 0.42 0.00 -0.21 -1.26 -5.00 119.66 113.27 3n0t s GLN 301 Ca -0.08 -0.28 0.10 0.00 0.02 0.00 0.00 55.36 55.12 3n0t s GLN 301 Cb 0.13 -3.44 0.91 0.00 1.00 0.00 0.00 33.01 31.61 3n0t s GLN 301 CO 0.82 0.15 2.02 0.00 -2.12 0.00 0.00 175.29 176.16 3n0t h ARG 302 N 7.19 0.31 -0.13 2.91 2.47 -1.92 -2.06 114.38 123.15 3n0t h ARG 302 Ca -0.39 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.14 3n0t h ARG 302 Cb 1.16 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 3n0t h ARG 302 CO 0.69 0.29 -0.59 0.82 0.56 0.00 0.00 179.97 181.74 3n0t h ILE 303 N 0.31 1.35 -0.66 2.04 2.04 -1.94 -2.06 117.51 118.59 3n0t h ILE 303 Ca 0.08 -1.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.98 3n0t h ILE 303 Cb 0.13 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3n0t h ILE 303 CO -0.00 0.58 0.19 0.74 0.00 0.00 0.00 178.15 179.65 3n0t h THR 304 N 0.32 1.25 -0.43 -0.27 2.02 -1.65 -2.23 112.91 111.92 3n0t h THR 304 Ca -0.00 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3n0t h THR 304 Cb 1.13 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3n0t h THR 304 CO 0.10 0.34 0.25 1.23 0.37 0.00 0.00 175.52 177.81 3n0t h GLY 305 N 0.97 0.63 1.05 2.16 0.00 -1.21 0.22 103.07 106.89 3n0t h GLY 305 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3n0t h GLY 305 CO -0.00 0.27 0.19 -2.00 0.00 0.00 0.00 176.54 175.00 3n0t h LEU 306 N 0.56 1.03 -0.22 3.11 5.85 -1.27 0.50 115.31 124.88 3n0t h LEU 306 Ca 0.15 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3n0t h LEU 306 Cb 0.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3n0t h LEU 306 CO -0.03 0.98 0.06 -0.09 -0.34 0.00 0.00 178.44 179.02 3n0t h ARG 307 N 1.02 0.34 -0.61 1.25 2.43 -1.17 -1.39 114.38 116.25 3n0t h ARG 307 Ca 0.22 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3n0t h ARG 307 Cb 0.34 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3n0t h ARG 307 CO -0.00 0.45 0.39 0.00 -1.51 0.00 0.00 179.97 179.30 3n0t h ALA 308 N 0.88 0.79 0.25 2.80 0.00 -0.29 -2.04 119.26 121.64 3n0t h ALA 308 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3n0t h ALA 308 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3n0t h ALA 308 CO -0.00 0.16 -0.12 1.25 0.00 0.00 0.00 179.25 180.54 3n0t h LEU 309 N 0.79 -0.28 -2.32 0.00 6.46 -0.78 -2.79 115.31 116.38 3n0t h LEU 309 Ca 0.24 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 3n0t h LEU 309 Cb -0.04 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3n0t h LEU 309 CO -0.07 -0.14 0.16 0.00 -0.62 0.00 0.00 178.44 177.76 3n0t h ALA 310 N 0.34 1.65 0.00 1.25 0.00 -1.11 -2.49 119.26 118.90 3n0t h ALA 310 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n0t h ALA 310 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3n0t h ALA 310 CO 0.06 -0.23 -0.05 0.78 0.00 0.00 0.00 179.25 179.81 3n0t h GLY 311 N 0.00 0.00 2.00 0.00 0.00 -1.08 -0.33 103.07 103.66 3n0t h GLY 311 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3n0t h GLY 311 CO -0.00 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.73 3n0t h LEU 312 N 0.00 0.00 0.04 3.11 3.38 -1.57 0.51 115.31 120.78 3n0t h LEU 312 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3n0t h LEU 312 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3n0t h LEU 312 CO 0.01 0.22 -1.91 0.52 0.09 0.00 0.00 178.44 177.36 3n0t n VAL 313 N -4.22 1.60 0.57 1.22 0.31 -0.64 -4.31 118.33 112.86 3n0t n VAL 313 Ca -0.02 -0.37 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 3n0t n VAL 313 Cb 0.28 -1.83 -0.10 0.00 -0.91 0.00 0.00 33.84 31.28 3n0t n VAL 313 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3n0t n TYR 314 N -3.94 0.00 -2.61 3.52 4.01 -0.23 -4.59 117.16 113.32 3n0t n TYR 314 Ca -0.38 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.26 3n0t n TYR 314 Cb 0.88 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.86 3n0t n TYR 314 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3n0t n ASN 315 N -1.53 2.46 -0.29 7.72 5.15 0.10 -4.89 115.26 123.98 3n0t n ASN 315 Ca 0.02 -2.67 0.11 0.00 -0.60 0.00 0.00 54.58 51.44 3n0t n ASN 315 Cb 0.29 -0.46 0.27 0.00 -0.53 0.00 0.00 39.78 39.35 3n0t n ASN 315 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3n0t h ALA 316 N 2.62 1.32 0.00 5.20 0.00 -1.56 -1.76 119.26 125.09 3n0t h ALA 316 Ca 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3n0t h ALA 316 Cb 1.27 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3n0t h ALA 316 CO 0.43 -0.32 -0.32 0.66 0.00 0.00 0.00 179.25 179.70 3n0t h SER 317 N 0.39 0.00 -0.07 0.00 4.64 -1.93 -3.48 113.55 113.11 3n0t h SER 317 Ca 0.52 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.81 3n0t h SER 317 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3n0t h SER 317 CO -0.51 0.11 -0.03 0.61 -0.87 0.00 0.00 176.83 176.14 3n0t n GLY 318 N 1.15 0.50 0.75 -0.77 0.00 -0.66 -4.94 105.19 101.21 3n0t n GLY 318 Ca 0.02 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.15 3n0t n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3n0t n SER 319 N 1.69 2.65 -4.70 1.61 3.41 -1.26 -4.91 113.62 112.10 3n0t n SER 319 Ca -0.01 -1.78 -0.40 0.00 -0.26 0.00 0.00 58.87 56.42 3n0t n SER 319 Cb 0.05 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 3n0t n SER 319 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3n0t s GLU 320 N -1.33 4.36 0.05 4.33 0.41 -1.26 -4.95 118.70 120.31 3n0t s GLU 320 Ca 0.24 0.75 0.04 0.00 -0.41 0.00 0.00 54.97 55.59 3n0t s GLU 320 Cb 0.15 -3.49 -0.24 0.00 -1.78 0.00 0.00 34.13 28.77 3n0t s GLU 320 CO 0.22 -0.02 1.01 0.45 -0.49 0.00 0.00 175.26 176.43 3n0t h HIS 321 N 6.97 0.19 -4.14 1.61 3.86 -1.98 -3.48 115.15 118.18 3n0t h HIS 321 Ca -0.38 -0.14 -0.13 0.00 -1.16 0.00 0.00 60.37 58.57 3n0t h HIS 321 Cb 1.18 -0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.49 3n0t h HIS 321 CO 0.66 1.14 -0.54 0.00 0.86 0.00 0.00 177.93 180.06 3n0t s TYR 323 N -3.95 3.18 -1.17 0.00 2.02 0.31 -4.79 117.35 112.95 3n0t s TYR 323 Ca 0.13 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.43 3n0t s TYR 323 Cb 0.06 -2.85 0.10 0.00 -0.40 0.00 0.00 41.96 38.87 3n0t s TYR 323 CO -0.05 -0.62 1.53 0.34 -1.57 0.00 0.00 175.55 175.18 3n0t s ASP 324 N 1.79 6.78 0.60 2.29 -1.08 -1.26 -2.14 116.67 123.66 3n0t s ASP 324 Ca 0.13 -2.28 0.30 0.00 -0.52 0.00 0.00 52.55 50.17 3n0t s ASP 324 Cb -0.17 -2.51 1.70 0.00 -1.46 0.00 0.00 42.92 40.48 3n0t s ASP 324 CO 0.13 -1.14 2.09 0.16 0.52 0.00 0.00 175.17 176.93 3n0t h ILE 325 N 5.69 0.38 0.03 4.11 3.07 -1.95 0.37 117.51 129.23 3n0t h ILE 325 Ca 0.32 0.00 -0.31 0.00 1.55 0.00 0.00 64.86 66.43 3n0t h ILE 325 Cb 0.92 0.82 -0.04 0.00 -0.27 0.00 0.00 36.82 38.25 3n0t h ILE 325 CO 1.36 0.00 -1.76 1.88 -1.05 0.00 0.00 178.15 178.58 3n0t h TYR 326 N 0.00 0.13 0.05 0.16 0.05 -1.89 -3.28 116.97 112.19 3n0t h TYR 326 Ca 0.08 -0.10 -0.25 0.00 0.05 0.00 0.00 58.73 58.51 3n0t h TYR 326 Cb 0.52 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 3n0t h TYR 326 CO 0.00 1.20 -1.24 -0.09 -1.05 0.00 0.00 178.16 176.98 3n0t h ARG 327 N 0.02 0.10 0.00 4.88 2.43 -1.88 -3.36 114.38 116.58 3n0t h ARG 327 Ca -0.31 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.54 3n0t h ARG 327 Cb 2.02 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.61 3n0t h ARG 327 CO 0.09 1.00 -0.68 -0.07 -1.51 0.00 0.00 179.97 178.80 3n0t h LEU 328 N 0.03 0.00 -7.77 3.80 3.38 -0.45 -3.45 115.31 110.85 3n0t h LEU 328 Ca -0.11 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.45 3n0t h LEU 328 Cb 1.89 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 42.30 3n0t h LEU 328 CO 0.15 0.66 -0.77 -0.47 0.09 0.00 0.00 178.44 178.09 3n0t s TYR 329 N -2.88 0.77 -0.36 1.13 5.04 -1.23 -4.92 117.35 114.89 3n0t s TYR 329 Ca 0.03 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.44 3n0t s TYR 329 Cb 0.08 -0.66 0.09 0.00 0.35 0.00 0.00 41.96 41.82 3n0t s TYR 329 CO 0.77 -0.18 0.11 -1.01 -1.34 0.00 0.00 175.55 173.90 3n0t s HIS 330 N 0.81 3.53 -0.02 4.97 3.76 -1.26 -4.52 115.29 122.56 3n0t s HIS 330 Ca -0.11 -2.39 -0.33 0.00 -0.15 0.00 0.00 55.06 52.07 3n0t s HIS 330 Cb -0.14 -2.85 -0.12 0.00 1.11 0.00 0.00 32.58 30.59 3n0t s HIS 330 CO 0.00 -0.92 1.85 0.43 -0.85 0.00 0.00 174.74 175.25 3n0t n SER 331 N 4.53 3.54 -1.60 1.40 7.64 -1.26 -4.66 113.62 123.21 3n0t n SER 331 Ca -0.04 0.98 -0.04 0.00 1.01 0.00 0.00 58.87 60.78 3n0t n SER 331 Cb 0.42 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.19 3n0t n SER 331 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n0t n ALA 333 N -2.56 1.40 -3.27 0.00 0.00 -1.26 -4.22 120.51 110.59 3n0t n ALA 333 Ca -0.03 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3n0t n ALA 333 Cb 0.12 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 3n0t n ALA 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3n0t s ASP 334 N -3.36 5.69 0.00 0.00 -1.08 -1.26 -4.71 116.67 111.95 3n0t s ASP 334 Ca 0.03 -1.53 0.13 0.00 -0.52 0.00 0.00 52.55 50.67 3n0t s ASP 334 Cb 0.06 -2.01 0.58 0.00 -1.46 0.00 0.00 42.92 40.10 3n0t s ASP 334 CO 0.20 -0.56 1.42 -0.81 0.52 0.00 0.00 175.17 175.94 3n0t n PRO 335 N 4.94 0.02 0.00 4.34 -0.04 -1.26 -1.43 135.00 141.57 3n0t n PRO 335 Ca -0.10 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 3n0t n PRO 335 Cb 0.43 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.76 3n0t n PRO 335 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3n0t n THR 336 N -1.47 0.00 0.00 0.52 -2.24 -1.26 -4.98 114.28 104.85 3n0t n THR 336 Ca 0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3n0t n THR 336 Cb 0.15 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3n0t n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n0t n GLY 337 N 1.50 2.85 0.08 3.38 0.00 -0.52 -4.95 105.19 107.54 3n0t n GLY 337 Ca 0.06 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 3n0t n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n0t n GLY 339 N 1.62 0.07 3.22 0.00 0.00 -1.26 -4.25 105.19 104.58 3n0t n GLY 339 Ca -0.25 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 3n0t n GLY 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n0t s THR 340 N 0.00 0.85 0.00 2.61 -4.23 -1.26 -4.47 115.64 109.13 3n0t s THR 340 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3n0t s THR 340 Cb 0.00 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.97 3n0t s THR 340 CO 0.00 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 3n0t n GLY 341 N -0.15 -1.73 0.27 3.99 0.00 -1.26 -4.16 105.19 102.15 3n0t n GLY 341 Ca -0.10 -1.66 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3n0t n GLY 341 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3n0t h PRO 342 N 0.00 0.94 -0.34 1.61 0.11 -1.99 -2.83 132.00 129.50 3n0t h PRO 342 Ca 0.00 -0.35 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3n0t h PRO 342 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 3n0t h PRO 342 CO 0.00 1.01 0.05 -0.44 -0.21 0.00 0.00 178.00 178.42 3n0t h ASP 343 N 0.79 0.47 -0.02 -2.05 3.32 -1.86 -2.36 116.42 114.71 3n0t h ASP 343 Ca 0.13 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3n0t h ASP 343 Cb 0.66 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3n0t h ASP 343 CO 0.05 0.50 -0.42 0.00 -1.72 0.00 0.00 179.24 177.64 3n0t h ALA 344 N 1.57 0.85 -0.33 3.45 0.00 -1.70 -1.04 119.26 122.06 3n0t h ALA 344 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3n0t h ALA 344 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3n0t h ALA 344 CO 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 3n0t h ARG 345 N 0.44 0.60 -0.54 0.00 3.08 -1.21 0.14 114.38 116.89 3n0t h ARG 345 Ca 0.04 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 3n0t h ARG 345 Cb 0.92 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3n0t h ARG 345 CO 0.08 0.75 0.17 0.00 -1.07 0.00 0.00 179.97 179.90 3n0t h ALA 346 N 0.83 0.70 -0.42 0.04 0.00 -1.39 -1.34 119.26 117.69 3n0t h ALA 346 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3n0t h ALA 346 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3n0t h ALA 346 CO 0.02 0.37 0.03 2.35 0.00 0.00 0.00 179.25 182.02 3n0t h TRP 347 N 0.74 0.77 -0.84 0.00 2.91 -1.10 -2.55 115.95 115.89 3n0t h TRP 347 Ca 0.17 -0.12 0.12 0.00 1.13 0.00 0.00 58.89 60.19 3n0t h TRP 347 Cb 0.28 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 28.66 3n0t h TRP 347 CO 0.02 0.77 0.55 0.22 -1.03 0.00 0.00 178.44 178.96 3n0t h ASP 348 N 0.56 0.65 -0.09 2.65 3.58 -0.48 -1.09 116.42 122.19 3n0t h ASP 348 Ca 0.12 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3n0t h ASP 348 Cb 0.44 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 3n0t h ASP 348 CO 0.02 0.36 0.00 0.22 -2.88 0.00 0.00 179.24 176.96 3n0t h TYR 349 N 0.70 0.16 -0.24 0.28 3.20 -0.86 -2.26 116.97 117.95 3n0t h TYR 349 Ca 0.41 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.30 3n0t h TYR 349 Cb 0.60 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3n0t h TYR 349 CO -0.00 0.39 -0.06 1.96 -1.64 0.00 0.00 178.16 178.81 3n0t h GLN 350 N -0.12 0.00 0.00 1.82 4.20 -1.04 -1.35 115.11 118.62 3n0t h GLN 350 Ca 0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3n0t h GLN 350 Cb 0.32 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3n0t h GLN 350 CO 0.00 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.16 3n0t h ALA 351 N 1.24 1.05 0.00 3.87 0.00 -1.20 -1.26 119.26 122.96 3n0t h ALA 351 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3n0t h ALA 351 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3n0t h ALA 351 CO -0.24 0.01 -0.67 0.00 0.00 0.00 0.00 179.25 178.35 3n0t n THR 353 N -1.71 0.03 -0.09 0.00 -2.24 -0.59 -3.68 114.28 105.99 3n0t n THR 353 Ca 0.04 0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 3n0t n THR 353 Cb 0.37 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 3n0t n THR 353 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3n0t n GLU 354 N -2.53 0.69 -2.68 -0.78 1.02 -0.74 -2.33 120.64 113.29 3n0t n GLU 354 Ca 0.00 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3n0t n GLU 354 Cb 0.00 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 3n0t n GLU 354 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3n0t s ILE 355 N -2.39 4.66 -0.54 -3.67 -1.09 -0.58 -4.42 121.20 113.16 3n0t s ILE 355 Ca -0.23 1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 59.95 3n0t s ILE 355 Cb 0.06 -4.32 0.11 0.00 -1.58 0.00 0.00 42.46 36.74 3n0t s ILE 355 CO 0.49 -0.24 0.54 0.20 -1.23 0.00 0.00 174.94 174.70 3n0t s ASN 356 N 1.31 6.18 -0.64 3.58 0.01 -0.88 -4.30 114.94 120.21 3n0t s ASN 356 Ca 0.43 -1.62 0.04 0.00 -0.71 0.00 0.00 52.86 51.01 3n0t s ASN 356 Cb -0.14 -2.23 0.34 0.00 0.41 0.00 0.00 41.25 39.62 3n0t s ASN 356 CO 0.08 -0.90 1.08 0.18 -1.51 0.00 0.00 177.10 176.04 3n0t n LEU 357 N 5.53 4.91 -1.91 0.60 4.77 -1.26 -4.14 117.00 125.51 3n0t n LEU 357 Ca -0.12 -5.63 -0.07 0.00 -0.03 0.00 0.00 56.01 50.16 3n0t n LEU 357 Cb 0.41 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3n0t n LEU 357 CO 0.54 2.31 1.27 0.35 -1.33 0.00 0.00 177.39 180.53 3n0t n THR 358 N -0.23 2.31 -2.89 -5.08 -2.24 -1.26 -4.28 114.28 100.60 3n0t n THR 358 Ca 0.34 -1.01 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 3n0t n THR 358 Cb 0.38 -1.77 -0.04 0.00 -2.10 0.00 0.00 70.33 66.80 3n0t n THR 358 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3n0t s PHE 359 N 0.95 3.68 0.24 4.78 0.08 -1.26 -4.66 117.98 121.80 3n0t s PHE 359 Ca 0.39 1.52 0.11 0.00 0.12 0.00 0.00 56.93 59.07 3n0t s PHE 359 Cb 0.19 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 3n0t s PHE 359 CO 0.00 0.14 -0.20 0.00 -0.10 0.00 0.00 175.22 175.06 3n0t s ALA 360 N 0.46 2.58 -0.08 5.36 0.00 -0.12 -4.41 121.76 125.56 3n0t s ALA 360 Ca 0.43 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3n0t s ALA 360 Cb -0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3n0t s ALA 360 CO 0.24 0.30 -0.21 -1.54 0.00 0.00 0.00 175.76 174.54 3n0t s SER 361 N -3.23 3.38 0.00 0.00 1.04 -1.07 -4.50 113.70 109.32 3n0t s SER 361 Ca 0.26 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3n0t s SER 361 Cb -0.05 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.00 3n0t s SER 361 CO 0.12 0.23 0.22 -0.46 0.98 0.00 0.00 173.24 174.34 3n0t n ASN 362 N 3.04 0.44 0.00 7.02 0.23 -1.26 -0.87 115.26 123.87 3n0t n ASN 362 Ca -0.18 -0.72 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 3n0t n ASN 362 Cb 0.52 0.47 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 3n0t n ASN 362 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3n0t n ASN 363 N -0.47 -2.40 -0.01 0.53 5.15 -0.44 -4.46 115.26 113.16 3n0t n ASN 363 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 3n0t n ASN 363 Cb 0.01 -1.53 -0.01 0.00 -0.53 0.00 0.00 39.78 37.72 3n0t n ASN 363 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3n0t n VAL 364 N -2.30 0.96 1.14 3.44 0.31 -1.26 -4.69 118.33 115.93 3n0t n VAL 364 Ca 0.00 0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.63 3n0t n VAL 364 Cb 0.12 -1.72 0.34 0.00 -0.91 0.00 0.00 33.84 31.68 3n0t n VAL 364 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3n0t n THR 365 N -3.59 0.13 -4.07 2.52 -2.24 -1.26 -4.94 114.28 100.83 3n0t n THR 365 Ca -0.08 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 3n0t n THR 365 Cb 0.31 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 3n0t n THR 365 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3n0t s ASP 366 N -1.81 0.14 0.00 3.42 1.47 -1.26 -4.31 116.67 114.32 3n0t s ASP 366 Ca 0.34 -1.15 0.21 0.00 1.18 0.00 0.00 52.55 53.14 3n0t s ASP 366 Cb 0.20 0.54 0.58 0.00 -0.34 0.00 0.00 42.92 43.90 3n0t s ASP 366 CO 0.30 -1.07 1.47 1.15 0.68 0.00 0.00 175.17 177.70 3n0t n MET 367 N -0.38 2.08 -3.62 2.11 0.00 -1.26 -3.94 117.12 112.11 3n0t n MET 367 Ca -0.00 -1.63 -0.28 0.00 0.00 0.00 0.00 57.70 55.79 3n0t n MET 367 Cb 0.63 -1.44 -0.03 0.00 0.00 0.00 0.00 33.22 32.37 3n0t n MET 367 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3n0t s PHE 368 N -1.66 3.48 1.02 3.17 0.08 -1.26 -4.37 117.98 118.44 3n0t s PHE 368 Ca 0.35 0.44 -0.12 0.00 0.12 0.00 0.00 56.93 57.72 3n0t s PHE 368 Cb 0.20 -1.93 0.20 0.00 -0.57 0.00 0.00 43.02 40.92 3n0t s PHE 368 CO 0.28 0.35 1.08 -2.14 -0.10 0.00 0.00 175.22 174.70 3n0t s PRO 369 N -3.23 0.20 -0.66 0.24 0.02 -1.26 -1.33 135.00 128.97 3n0t s PRO 369 Ca 0.40 1.09 -0.26 0.00 0.02 0.00 0.00 61.00 62.25 3n0t s PRO 369 Cb -0.11 -1.67 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 3n0t s PRO 369 CO 0.28 -3.05 1.91 0.34 -0.33 0.00 0.00 177.00 176.16 3n0t s ASP 370 N -2.76 5.18 -0.44 2.53 2.15 -1.26 -4.06 116.67 118.02 3n0t s ASP 370 Ca 0.67 0.19 0.02 0.00 0.43 0.00 0.00 52.55 53.86 3n0t s ASP 370 Cb -0.23 -2.53 0.13 0.00 -0.30 0.00 0.00 42.92 39.99 3n0t s ASP 370 CO 0.61 -2.49 0.23 -0.76 -0.17 0.00 0.00 175.17 172.58 3n0t s LEU 371 N 9.51 2.82 0.67 -1.34 1.43 -0.05 -5.00 118.68 126.72 3n0t s LEU 371 Ca 0.70 -2.60 -0.11 0.00 -1.03 0.00 0.00 54.13 51.09 3n0t s LEU 371 Cb -0.12 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.01 3n0t s LEU 371 CO 0.17 -0.27 1.05 -2.84 0.23 0.00 0.00 176.35 174.69 3n0t s PRO 372 N 0.38 3.19 -0.32 1.29 0.02 -1.26 -2.60 135.00 135.70 3n0t s PRO 372 Ca 0.17 0.76 0.02 0.00 0.02 0.00 0.00 61.00 61.97 3n0t s PRO 372 Cb -0.24 -2.03 0.15 0.00 0.02 0.00 0.00 34.50 32.40 3n0t s PRO 372 CO -0.01 -0.87 0.38 0.12 -0.33 0.00 0.00 177.00 176.30 3n0t s PHE 373 N -3.17 -0.68 0.42 6.54 5.36 -1.26 -4.98 117.98 120.21 3n0t s PHE 373 Ca 0.57 -0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.44 3n0t s PHE 373 Cb -0.12 -0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.25 3n0t s PHE 373 CO 0.54 -0.98 0.42 0.95 -1.46 0.00 0.00 175.22 174.69 3n0t s THR 374 N 2.11 2.75 0.24 0.12 -4.23 -1.26 -4.47 115.64 110.89 3n0t s THR 374 Ca 0.12 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3n0t s THR 374 Cb -0.13 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.89 3n0t s THR 374 CO -0.21 -0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.13 3n0t h ASP 375 N 0.95 1.05 -0.56 3.99 3.32 -1.98 0.09 116.42 123.28 3n0t h ASP 375 Ca -0.41 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 3n0t h ASP 375 Cb 1.27 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3n0t h ASP 375 CO 0.55 0.91 0.27 -0.33 -1.72 0.00 0.00 179.24 178.91 3n0t h GLU 376 N 1.14 0.80 -0.30 3.56 3.07 -1.98 0.44 114.58 121.31 3n0t h GLU 376 Ca 0.27 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 3n0t h GLU 376 Cb 0.15 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3n0t h GLU 376 CO -0.03 0.66 0.06 -0.07 -1.40 0.00 0.00 179.01 178.23 3n0t h LEU 377 N 0.75 0.46 0.03 1.33 3.38 -1.89 -2.52 115.31 116.86 3n0t h LEU 377 Ca 0.19 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3n0t h LEU 377 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n0t h LEU 377 CO -0.02 0.59 -0.02 -0.09 0.09 0.00 0.00 178.44 178.99 3n0t h ARG 378 N 0.32 -0.05 -0.61 1.13 2.43 -0.57 -2.38 114.38 114.65 3n0t h ARG 378 Ca 0.09 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3n0t h ARG 378 Cb 0.32 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3n0t h ARG 378 CO 0.00 -0.02 0.31 1.96 -1.51 0.00 0.00 179.97 180.71 3n0t h GLN 379 N -0.06 0.56 -0.13 0.20 4.20 -0.11 -1.37 115.11 118.39 3n0t h GLN 379 Ca -0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3n0t h GLN 379 Cb 0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3n0t h GLN 379 CO 0.01 0.37 -0.04 0.00 -0.67 0.00 0.00 178.83 178.50 3n0t h ARG 380 N 0.57 0.26 -0.24 1.46 3.08 -1.41 -1.92 114.38 116.19 3n0t h ARG 380 Ca 0.28 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3n0t h ARG 380 Cb 0.21 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3n0t h ARG 380 CO -0.20 0.57 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.33 3n0t h TYR 381 N -0.05 -0.05 -0.20 3.04 3.20 -1.24 -2.00 116.97 119.65 3n0t h TYR 381 Ca 0.03 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 3n0t h TYR 381 Cb 0.47 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3n0t h TYR 381 CO 0.06 -0.06 -0.28 0.00 -1.64 0.00 0.00 178.16 176.24 3n0t h LEU 383 N 0.35 0.33 -0.69 0.00 3.38 -1.04 -1.28 115.31 116.36 3n0t h LEU 383 Ca 0.05 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3n0t h LEU 383 Cb 0.67 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3n0t h LEU 383 CO 0.05 0.71 0.31 0.44 0.09 0.00 0.00 178.44 180.03 3n0t h ASP 384 N -0.04 0.93 0.09 -0.43 3.32 -1.28 -0.97 116.42 118.02 3n0t h ASP 384 Ca 0.03 -0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.69 3n0t h ASP 384 Cb 0.60 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3n0t h ASP 384 CO 0.03 0.82 -1.21 0.74 -1.72 0.00 0.00 179.24 177.90 3n0t h THR 385 N 0.97 1.11 0.00 0.35 2.02 -1.42 -3.42 112.91 112.52 3n0t h THR 385 Ca 0.23 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 65.05 3n0t h THR 385 Cb 0.16 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3n0t h THR 385 CO -0.03 0.63 -0.35 0.79 0.37 0.00 0.00 175.52 176.94 3n0t n TRP 386 N -4.09 0.00 -1.98 3.16 7.02 -0.52 -4.84 117.44 116.19 3n0t n TRP 386 Ca -0.24 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.10 3n0t n TRP 386 Cb 0.82 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.67 3n0t n TRP 386 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3n0t n GLY 387 N 1.30 0.36 3.42 6.99 0.00 -0.37 -4.77 105.19 112.12 3n0t n GLY 387 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3n0t n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3n0t s VAL 388 N -2.66 2.54 -0.23 1.61 -7.23 -1.20 -4.96 120.40 108.27 3n0t s VAL 388 Ca 0.00 -1.40 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3n0t s VAL 388 Cb 0.00 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3n0t s VAL 388 CO 0.00 0.26 0.09 0.86 -0.31 0.00 0.00 175.10 175.99 3n0t s TRP 389 N -0.96 3.15 0.56 2.82 -0.11 -1.26 -3.30 118.94 119.83 3n0t s TRP 389 Ca 0.14 -0.19 -0.21 0.00 1.22 0.00 0.00 56.10 57.07 3n0t s TRP 389 Cb -0.10 -2.21 -0.04 0.00 -1.50 0.00 0.00 33.47 29.61 3n0t s TRP 389 CO 0.05 -0.18 1.29 -2.14 -4.62 0.00 0.00 176.95 171.36 3n0t s PRO 390 N 1.27 3.11 -0.70 5.86 0.02 -1.24 -4.91 135.00 138.41 3n0t s PRO 390 Ca 0.05 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.19 3n0t s PRO 390 Cb -0.15 -2.16 0.17 0.00 0.02 0.00 0.00 34.50 32.39 3n0t s PRO 390 CO 0.04 -1.16 0.51 0.54 -0.33 0.00 0.00 177.00 176.60 3n0t n ARG 391 N -1.17 1.85 0.16 5.54 1.74 -0.99 -4.98 116.66 118.82 3n0t n ARG 391 Ca 0.11 -4.49 0.13 0.00 -0.77 0.00 0.00 57.85 52.83 3n0t n ARG 391 Cb 0.47 -2.28 0.57 0.00 -1.02 0.00 0.00 32.46 30.19 3n0t n ARG 391 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3n0t h PRO 392 N 5.32 0.00 0.00 5.56 0.13 -1.92 -2.69 132.00 138.40 3n0t h PRO 392 Ca 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 3n0t h PRO 392 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3n0t h PRO 392 CO 0.72 0.00 -0.73 0.38 -0.23 0.00 0.00 178.00 178.14 3n0t h ASP 393 N 0.00 0.00 0.07 1.44 2.03 -1.93 -3.41 116.42 114.62 3n0t h ASP 393 Ca 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 3n0t h ASP 393 Cb 0.27 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.74 3n0t h ASP 393 CO 0.00 0.30 -0.25 -0.25 -1.03 0.00 0.00 179.24 178.01 3n0t h TRP 394 N 0.00 -0.68 -0.87 4.15 2.91 -1.83 -2.98 115.95 116.64 3n0t h TRP 394 Ca -0.04 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.11 3n0t h TRP 394 Cb 1.27 0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 30.14 3n0t h TRP 394 CO 0.00 -0.35 0.56 1.25 -1.03 0.00 0.00 178.44 178.87 3n0t h LEU 395 N -0.43 0.71 -0.67 0.65 5.85 -1.78 -0.02 115.31 119.61 3n0t h LEU 395 Ca 0.04 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3n0t h LEU 395 Cb 0.48 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3n0t h LEU 395 CO -0.17 0.40 0.05 0.25 -0.34 0.00 0.00 178.44 178.62 3n0t h LEU 396 N 0.78 1.04 0.38 2.25 5.85 -1.77 0.16 115.31 124.00 3n0t h LEU 396 Ca 0.42 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3n0t h LEU 396 Cb 0.55 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3n0t h LEU 396 CO -0.18 1.06 -0.18 0.74 -0.34 0.00 0.00 178.44 179.54 3n0t h THR 397 N 0.99 0.64 -0.12 1.05 2.02 -0.91 -2.66 112.91 113.92 3n0t h THR 397 Ca 0.19 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 3n0t h THR 397 Cb 0.50 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3n0t h THR 397 CO 0.02 0.03 -0.28 -1.28 0.37 0.00 0.00 175.52 174.38 3n0t h SER 398 N -0.58 0.45 -0.44 4.18 0.87 -1.17 -3.38 113.55 113.49 3n0t h SER 398 Ca -0.05 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 3n0t h SER 398 Cb 0.43 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3n0t h SER 398 CO 0.09 0.94 0.00 0.49 -0.53 0.00 0.00 176.83 177.82 3n0t n PHE 399 N -4.43 1.20 -0.31 2.24 3.72 0.57 -5.01 117.46 115.44 3n0t n PHE 399 Ca -0.07 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 3n0t n PHE 399 Cb 0.46 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3n0t n PHE 399 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3n0t n TRP 400 N 0.32 0.00 0.00 1.38 8.01 -1.00 -4.87 117.44 121.28 3n0t n TRP 400 Ca 0.22 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.41 3n0t n TRP 400 Cb 0.86 -1.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 3n0t n TRP 400 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3n0t n GLY 401 N -2.00 3.90 0.02 6.99 0.00 -1.26 -1.67 105.19 111.17 3n0t n GLY 401 Ca 0.00 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3n0t n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n0t n GLY 402 N 0.00 -1.20 3.58 -0.02 0.00 -1.26 -4.70 105.19 101.59 3n0t n GLY 402 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3n0t n GLY 402 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n0t s ASP 403 N -3.49 6.77 -0.23 1.61 -1.08 -0.67 -4.70 116.67 114.88 3n0t s ASP 403 Ca 0.07 -2.38 0.14 0.00 -0.52 0.00 0.00 52.55 49.86 3n0t s ASP 403 Cb 0.16 -2.58 0.55 0.00 -1.46 0.00 0.00 42.92 39.58 3n0t s ASP 403 CO 0.78 -1.25 1.48 0.18 0.52 0.00 0.00 175.17 176.88 3n0t n LEU 404 N 8.61 4.20 -0.21 -1.34 4.77 -1.26 -4.68 117.00 127.09 3n0t n LEU 404 Ca 0.48 -3.25 0.04 0.00 -0.03 0.00 0.00 56.01 53.25 3n0t n LEU 404 Cb 0.46 -0.59 0.29 0.00 -2.33 0.00 0.00 43.42 41.25 3n0t n LEU 404 CO 0.76 0.84 1.23 0.03 -1.33 0.00 0.00 177.39 178.93 3n0t h ARG 405 N 1.65 0.88 -0.10 3.23 3.08 -1.89 -2.56 114.38 118.67 3n0t h ARG 405 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3n0t h ARG 405 Cb 1.61 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3n0t h ARG 405 CO 0.33 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 3n0t n ALA 406 N -2.43 2.54 -2.33 0.04 0.00 -1.26 -4.88 120.51 112.19 3n0t n ALA 406 Ca 0.10 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 3n0t n ALA 406 Cb 0.15 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3n0t n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n0t s ALA 407 N -1.88 3.56 0.05 0.00 0.00 -0.96 -5.11 121.76 117.42 3n0t s ALA 407 Ca 0.35 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 3n0t s ALA 407 Cb 0.19 -2.35 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3n0t s ALA 407 CO 0.30 -0.39 0.32 -1.54 0.00 0.00 0.00 175.76 174.45 3n0t s SER 408 N -4.17 -0.14 -1.18 0.00 1.04 -1.26 -4.80 113.70 103.19 3n0t s SER 408 Ca 0.48 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.68 3n0t s SER 408 Cb -0.10 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3n0t s SER 408 CO 0.41 -0.65 0.98 0.59 0.98 0.00 0.00 173.24 175.54 3n0t n ASN 409 N 0.45 -2.65 -4.13 7.02 3.02 -1.01 -4.87 115.26 113.09 3n0t n ASN 409 Ca -0.18 -0.64 -0.27 0.00 -0.03 0.00 0.00 54.58 53.46 3n0t n ASN 409 Cb 0.60 -5.09 -0.16 0.00 -0.61 0.00 0.00 39.78 34.51 3n0t n ASN 409 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3n0t s ILE 410 N -3.38 1.49 -0.23 2.41 1.01 -0.75 -1.31 121.20 120.45 3n0t s ILE 410 Ca 0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3n0t s ILE 410 Cb -0.01 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3n0t s ILE 410 CO 0.73 0.43 0.05 -0.63 0.00 0.00 0.00 174.94 175.52 3n0t s ILE 411 N 0.21 4.30 -0.43 2.92 1.01 -0.45 -1.70 121.20 127.06 3n0t s ILE 411 Ca -0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3n0t s ILE 411 Cb -0.14 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.43 3n0t s ILE 411 CO 0.04 0.38 0.30 -0.36 0.00 0.00 0.00 174.94 175.30 3n0t s PHE 412 N 1.25 3.30 0.07 3.97 0.08 0.84 -0.16 117.98 127.33 3n0t s PHE 412 Ca 0.04 -1.28 -0.01 0.00 0.12 0.00 0.00 56.93 55.80 3n0t s PHE 412 Cb -0.15 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.28 3n0t s PHE 412 CO 0.03 -0.81 0.25 -1.54 -0.10 0.00 0.00 175.22 173.04 3n0t s SER 413 N 2.23 6.39 -0.01 1.36 1.04 -0.45 -1.49 113.70 122.77 3n0t s SER 413 Ca 0.03 0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.66 3n0t s SER 413 Cb -0.23 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 63.92 3n0t s SER 413 CO 0.04 0.15 0.31 0.20 0.98 0.00 0.00 173.24 174.92 3n0t s ASN 414 N -2.46 -0.19 -0.09 7.02 0.01 -0.32 -0.43 114.94 118.48 3n0t s ASN 414 Ca 0.36 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.59 3n0t s ASN 414 Cb -0.13 0.31 -0.03 0.00 0.41 0.00 0.00 41.25 41.82 3n0t s ASN 414 CO 0.27 -0.45 -0.09 -0.83 -1.51 0.00 0.00 177.10 174.49 3n0t s GLY 415 N -1.35 1.65 0.62 0.66 0.00 -1.26 -0.30 107.32 107.34 3n0t s GLY 415 Ca -0.13 -0.89 0.39 0.00 0.00 0.00 0.00 44.72 44.08 3n0t s GLY 415 CO 0.04 -0.50 2.25 3.45 0.00 0.00 0.00 173.10 178.34 3n0t h ASN 416 N 5.75 0.00 1.07 1.64 -1.07 -1.24 -1.62 115.58 120.11 3n0t h ASN 416 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 3n0t h ASN 416 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 3n0t h ASN 416 CO 0.54 0.02 -0.45 -0.07 0.07 0.00 0.00 177.43 177.54 3n0t h LEU 417 N 0.00 0.00 -9.11 6.14 3.38 -1.40 -3.47 115.31 110.86 3n0t h LEU 417 Ca -0.00 -0.14 -0.57 0.00 0.09 0.00 0.00 57.88 57.26 3n0t h LEU 417 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3n0t h LEU 417 CO 0.00 0.07 0.86 -0.62 0.09 0.00 0.00 178.44 178.85 3n0t s ASP 418 N -4.42 7.00 0.60 -0.43 2.15 -0.61 -4.79 116.67 116.17 3n0t s ASP 418 Ca 0.07 1.53 0.39 0.00 0.43 0.00 0.00 52.55 54.97 3n0t s ASP 418 Cb 0.13 -2.54 1.98 0.00 -0.30 0.00 0.00 42.92 42.19 3n0t s ASP 418 CO 0.69 -0.74 2.19 1.55 -0.17 0.00 0.00 175.17 178.69 3n0t h PRO 419 N 7.94 0.00 0.00 4.34 0.13 -1.85 -0.99 132.00 141.56 3n0t h PRO 419 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3n0t h PRO 419 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3n0t h PRO 419 CO 0.98 0.00 -0.11 -1.49 -0.23 0.00 0.00 178.00 177.14 3n0t h TRP 420 N 0.00 0.00 -0.79 1.56 4.06 -1.92 -3.34 115.95 115.53 3n0t h TRP 420 Ca 0.00 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.08 3n0t h TRP 420 Cb 0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.24 3n0t h TRP 420 CO 0.00 0.11 0.37 0.00 -3.56 0.00 0.00 178.44 175.36 3n0t h ALA 421 N 1.89 1.14 0.00 1.49 0.00 -1.43 -2.18 119.26 120.16 3n0t h ALA 421 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3n0t h ALA 421 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3n0t h ALA 421 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.55 3n0t n GLY 422 N -1.32 -0.40 0.20 0.00 0.00 -1.25 -2.11 105.19 100.31 3n0t n GLY 422 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3n0t n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n0t n GLY 423 N -0.57 2.66 0.00 -0.02 0.00 -0.82 -4.95 105.19 101.50 3n0t n GLY 423 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3n0t n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n0t n GLY 424 N -0.14 4.46 3.67 -0.02 0.00 -0.90 -1.51 105.19 110.75 3n0t n GLY 424 Ca 0.04 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3n0t n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n0t s ILE 425 N -0.57 4.76 -0.38 -0.61 -1.09 -1.26 -4.83 121.20 117.22 3n0t s ILE 425 Ca 0.00 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.38 3n0t s ILE 425 Cb 0.00 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 3n0t s ILE 425 CO 0.00 -0.08 0.47 0.54 -1.23 0.00 0.00 174.94 174.64 3n0t n ARG 426 N 5.73 1.57 -4.26 2.79 1.74 -1.26 -4.85 116.66 118.13 3n0t n ARG 426 Ca 0.09 -0.50 -0.16 0.00 -0.77 0.00 0.00 57.85 56.52 3n0t n ARG 426 Cb 0.47 -0.94 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 3n0t n ARG 426 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3n0t s ARG 427 N -0.64 1.08 0.10 5.56 0.52 -1.26 -4.88 118.95 119.44 3n0t s ARG 427 Ca 0.03 -1.41 -0.31 0.00 -0.52 0.00 0.00 55.73 53.53 3n0t s ARG 427 Cb 0.03 -0.77 -0.08 0.00 0.52 0.00 0.00 34.95 34.66 3n0t s ARG 427 CO 0.08 0.12 1.41 -0.80 0.02 0.00 0.00 175.30 176.12 3n0t s ASN 428 N -2.98 6.81 0.06 0.23 -0.87 -1.26 -4.18 114.94 112.74 3n0t s ASN 428 Ca 0.15 2.32 0.21 0.00 -1.57 0.00 0.00 52.86 53.98 3n0t s ASN 428 Cb -0.00 -2.58 -0.18 0.00 -0.02 0.00 0.00 41.25 38.47 3n0t s ASN 428 CO 0.02 -0.68 0.71 0.18 -2.57 0.00 0.00 177.10 174.77 3n0t n LEU 429 N 4.15 0.42 0.00 0.60 4.77 0.22 -4.96 117.00 122.20 3n0t n LEU 429 Ca 0.12 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 3n0t n LEU 429 Cb 0.42 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3n0t n LEU 429 CO 0.59 -0.03 0.61 -1.54 -1.33 0.00 0.00 177.39 175.68 3n0t n SER 430 N -2.51 -1.26 -0.18 -1.43 3.41 -1.10 -4.87 113.62 105.68 3n0t n SER 430 Ca -0.05 -1.65 -0.02 0.00 -0.26 0.00 0.00 58.87 56.89 3n0t n SER 430 Cb 0.62 2.05 0.08 0.00 -0.26 0.00 0.00 64.21 66.69 3n0t n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n0t h ALA 431 N 2.00 0.69 -0.01 7.33 0.00 -1.99 -3.20 119.26 124.08 3n0t h ALA 431 Ca -0.20 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n0t h ALA 431 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3n0t h ALA 431 CO 0.27 -0.18 -0.70 -1.13 0.00 0.00 0.00 179.25 177.51 3n0t n SER 432 N -4.97 1.29 -4.14 0.00 3.41 -1.26 -4.71 113.62 103.23 3n0t n SER 432 Ca 0.06 -1.14 -0.38 0.00 -0.26 0.00 0.00 58.87 57.15 3n0t n SER 432 Cb 0.21 0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 64.87 3n0t n SER 432 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3n0t s VAL 433 N -2.56 4.12 -0.07 -3.33 1.01 -1.21 -1.81 120.40 116.56 3n0t s VAL 433 Ca 0.11 -2.98 -0.04 0.00 0.00 0.00 0.00 61.98 59.06 3n0t s VAL 433 Cb 0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3n0t s VAL 433 CO 0.66 -0.93 0.13 -0.63 0.00 0.00 0.00 175.10 174.33 3n0t s ILE 434 N -0.18 5.24 -0.14 2.22 -1.09 -0.69 -0.61 121.20 125.95 3n0t s ILE 434 Ca 0.18 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.51 3n0t s ILE 434 Cb -0.17 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3n0t s ILE 434 CO -0.05 0.49 0.03 0.00 -1.23 0.00 0.00 174.94 174.19 3n0t s ALA 435 N -1.12 3.36 -0.09 9.38 0.00 -1.26 -0.11 121.76 131.91 3n0t s ALA 435 Ca 0.19 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3n0t s ALA 435 Cb -0.12 -1.72 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 3n0t s ALA 435 CO 0.09 0.37 -0.23 0.08 0.00 0.00 0.00 175.76 176.08 3n0t s VAL 436 N -0.22 2.19 -0.16 0.00 1.01 -0.55 -4.76 120.40 117.91 3n0t s VAL 436 Ca 0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3n0t s VAL 436 Cb -0.12 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3n0t s VAL 436 CO 0.02 0.56 -0.10 -0.89 0.00 0.00 0.00 175.10 174.69 3n0t s THR 437 N 0.21 3.21 -0.34 3.92 2.01 -1.26 -1.18 115.64 122.21 3n0t s THR 437 Ca -0.14 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3n0t s THR 437 Cb -0.17 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 69.98 3n0t s THR 437 CO 0.07 0.49 0.14 -0.63 -0.69 0.00 0.00 174.62 174.00 3n0t s ILE 438 N 0.73 4.17 -0.08 1.82 1.01 0.59 -4.95 121.20 124.49 3n0t s ILE 438 Ca -0.04 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 3n0t s ILE 438 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3n0t s ILE 438 CO 0.02 -0.12 1.10 -1.10 0.00 0.00 0.00 174.94 174.84 3n0t s GLN 439 N 1.49 4.38 0.00 2.79 -1.52 -1.26 -1.66 119.66 123.88 3n0t s GLN 439 Ca 0.01 1.53 0.00 0.00 -1.95 0.00 0.00 55.36 54.95 3n0t s GLN 439 Cb -0.19 -3.55 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 3n0t s GLN 439 CO 0.04 -0.39 0.00 0.41 -0.25 0.00 0.00 175.29 175.11 3n0t n GLY 440 N 3.23 0.76 3.76 3.09 0.00 -1.26 -4.47 105.19 110.30 3n0t n GLY 440 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3n0t n GLY 440 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n0t s GLY 441 N -1.84 2.55 0.00 -0.02 0.00 -1.12 -4.80 107.32 102.08 3n0t s GLY 441 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.67 3n0t s GLY 441 CO 0.00 0.69 0.00 0.00 0.00 0.00 0.00 173.10 173.79 3n0t n ALA 442 N 2.85 0.00 -2.58 3.20 0.00 -1.26 -1.16 120.51 121.56 3n0t n ALA 442 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 3n0t n ALA 442 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3n0t n ALA 442 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3n0t s HIS 443 N 3.59 2.49 -1.39 0.00 2.46 -0.62 -4.00 115.29 117.81 3n0t s HIS 443 Ca 0.00 0.19 -0.04 0.00 0.47 0.00 0.00 55.06 55.68 3n0t s HIS 443 Cb 0.00 -4.54 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 3n0t s HIS 443 CO 0.00 -1.77 0.41 -2.39 -2.47 0.00 0.00 174.74 168.52 3n0t n HIS 444 N 8.75 -1.60 -0.36 3.88 1.44 -1.26 -4.92 115.22 121.14 3n0t n HIS 444 Ca 0.06 0.66 0.02 0.00 -2.01 0.00 0.00 57.72 56.44 3n0t n HIS 444 Cb 0.49 -3.52 0.16 0.00 0.12 0.00 0.00 29.99 27.24 3n0t n HIS 444 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3n0t h LEU 445 N -1.88 1.03 -1.54 2.39 5.85 -1.93 -2.59 115.31 116.63 3n0t h LEU 445 Ca -0.64 0.00 0.26 0.00 0.84 0.00 0.00 57.88 58.34 3n0t h LEU 445 Cb 1.38 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 3n0t h LEU 445 CO 0.61 0.67 0.67 -2.24 -0.34 0.00 0.00 178.44 177.81 3n0t h ASP 446 N 1.17 0.34 1.37 1.25 2.03 -1.92 -0.78 116.42 119.89 3n0t h ASP 446 Ca 0.41 0.05 -0.01 0.00 -0.73 0.00 0.00 57.03 56.76 3n0t h ASP 446 Cb 0.12 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.62 3n0t h ASP 446 CO -0.16 0.09 -0.04 -0.07 -1.03 0.00 0.00 179.24 178.03 3n0t h LEU 447 N 0.31 0.00-10.25 0.15 3.38 -1.83 -3.44 115.31 103.64 3n0t h LEU 447 Ca 0.54 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 58.00 3n0t h LEU 447 Cb 1.52 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.38 3n0t h LEU 447 CO -0.20 0.04 0.35 -0.13 0.09 0.00 0.00 178.44 178.59 3n0t s ARG 448 N -3.49 2.61 0.54 1.13 0.52 -0.30 -1.33 118.95 118.63 3n0t s ARG 448 Ca 0.03 1.29 -0.22 0.00 -0.52 0.00 0.00 55.73 56.31 3n0t s ARG 448 Cb 0.08 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.56 3n0t s ARG 448 CO 0.60 -1.39 1.32 0.00 0.02 0.00 0.00 175.30 175.86 3n0t s ALA 449 N -2.58 2.82 0.15 2.13 0.00 -1.26 -3.57 121.76 119.45 3n0t s ALA 449 Ca 0.64 1.26 -0.34 0.00 0.00 0.00 0.00 51.96 53.52 3n0t s ALA 449 Cb -0.19 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.25 3n0t s ALA 449 CO 0.47 -1.26 1.50 0.43 0.00 0.00 0.00 175.76 176.90 3n0t n SER 450 N -0.99 2.69 -4.08 0.00 7.64 -1.26 -4.90 113.62 112.73 3n0t n SER 450 Ca 0.10 1.10 -0.20 0.00 1.01 0.00 0.00 58.87 60.88 3n0t n SER 450 Cb 0.46 -1.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.14 3n0t n SER 450 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3n0t s HIS 451 N 0.68 1.04 0.56 1.43 5.04 -1.26 -5.04 115.29 117.73 3n0t s HIS 451 Ca 0.79 -0.24 0.30 0.00 -1.54 0.00 0.00 55.06 54.36 3n0t s HIS 451 Cb -0.74 -0.65 1.46 0.00 0.04 0.00 0.00 32.58 32.69 3n0t s HIS 451 CO 0.41 -0.01 1.89 -1.35 -2.34 0.00 0.00 174.74 173.34 3n0t h PRO 452 N 5.59 0.00 -0.04 2.88 0.11 -2.03 -1.58 132.00 136.94 3n0t h PRO 452 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3n0t h PRO 452 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3n0t h PRO 452 CO 0.48 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.66 3n0t n GLU 453 N -3.98 1.48 -1.65 1.05 -0.58 -1.26 -4.98 120.64 110.72 3n0t n GLU 453 Ca 0.13 -0.70 -0.45 0.00 -0.42 0.00 0.00 57.16 55.72 3n0t n GLU 453 Cb 0.81 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 3n0t n GLU 453 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3n0t n ASP 454 N -0.14 2.40 -4.77 1.62 8.00 -0.60 -4.87 116.55 118.20 3n0t n ASP 454 Ca 0.19 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.45 3n0t n ASP 454 Cb 0.27 -1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 39.96 3n0t n ASP 454 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3n0t s PRO 455 N -0.64 4.27 0.37 -0.24 0.04 -1.26 -4.90 135.00 132.64 3n0t s PRO 455 Ca 0.67 1.99 0.20 0.00 0.04 0.00 0.00 61.00 63.90 3n0t s PRO 455 Cb -0.68 -2.92 1.24 0.00 0.04 0.00 0.00 34.50 32.17 3n0t s PRO 455 CO 0.52 -0.18 1.63 0.00 0.04 0.00 0.00 177.00 179.01 3n0t h ALA 456 N 3.13 2.20 -0.73 8.56 0.00 -1.93 -0.13 119.26 130.37 3n0t h ALA 456 Ca -0.48 0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3n0t h ALA 456 Cb 1.23 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3n0t h ALA 456 CO 0.64 -0.86 0.48 1.03 0.00 0.00 0.00 179.25 180.54 3n0t h SER 457 N 0.18 0.81 -0.12 0.00 0.87 -1.91 -1.92 113.55 111.47 3n0t h SER 457 Ca 0.78 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 61.12 3n0t h SER 457 Cb 2.03 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.80 3n0t h SER 457 CO -0.60 0.58 -0.70 1.62 -0.53 0.00 0.00 176.83 177.19 3n0t h VAL 458 N 0.95 1.29 -0.29 2.23 3.04 -1.24 -1.96 116.25 120.27 3n0t h VAL 458 Ca 0.27 -1.92 0.02 0.00 -1.01 0.00 0.00 66.70 64.06 3n0t h VAL 458 Cb -0.06 1.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 3n0t h VAL 458 CO -0.07 0.61 0.13 0.58 -1.01 0.00 0.00 177.57 177.81 3n0t h VAL 459 N 0.54 0.97 -0.27 1.51 2.07 -1.38 -0.66 116.25 119.03 3n0t h VAL 459 Ca -0.03 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3n0t h VAL 459 Cb 1.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3n0t h VAL 459 CO 0.14 0.05 0.16 -0.33 0.02 0.00 0.00 177.57 177.62 3n0t h GLU 460 N 0.28 0.37 -0.88 1.57 3.07 -1.40 -2.42 114.58 115.17 3n0t h GLU 460 Ca 0.12 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3n0t h GLU 460 Cb 0.06 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 3n0t h GLU 460 CO -0.10 0.30 0.54 0.00 -1.40 0.00 0.00 179.01 178.36 3n0t h ALA 461 N 1.05 1.12 -0.56 3.43 0.00 -1.08 -0.89 119.26 122.34 3n0t h ALA 461 Ca 0.10 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3n0t h ALA 461 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3n0t h ALA 461 CO -0.02 0.57 0.02 0.00 0.00 0.00 0.00 179.25 179.82 3n0t h ARG 462 N 1.21 0.98 -0.09 0.00 3.08 -0.98 -1.54 114.38 117.04 3n0t h ARG 462 Ca 0.32 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3n0t h ARG 462 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3n0t h ARG 462 CO -0.06 0.97 -0.30 0.87 -1.07 0.00 0.00 179.97 180.38 3n0t h LYS 463 N 0.86 0.16 -0.11 0.04 6.56 -1.12 0.38 116.57 123.34 3n0t h LYS 463 Ca 0.16 -0.06 -0.22 0.00 -1.06 0.00 0.00 60.65 59.48 3n0t h LYS 463 Cb 0.52 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.18 3n0t h LYS 463 CO 0.03 0.46 -0.80 1.25 -2.06 0.00 0.00 179.45 178.32 3n0t h LEU 464 N 0.15 0.80 -0.33 2.94 5.85 -0.94 -2.81 115.31 120.96 3n0t h LEU 464 Ca 0.02 -0.54 -0.15 0.00 0.84 0.00 0.00 57.88 58.05 3n0t h LEU 464 Cb 0.61 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3n0t h LEU 464 CO 0.04 1.32 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.77 3n0t h GLU 465 N 0.44 0.83 -0.21 1.25 5.08 -1.00 -2.64 114.58 118.33 3n0t h GLU 465 Ca -0.05 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3n0t h GLU 465 Cb 1.42 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 3n0t h GLU 465 CO 0.16 1.09 0.10 0.00 -1.00 0.00 0.00 179.01 179.36 3n0t h ALA 466 N 0.72 0.25 0.36 3.43 0.00 -0.98 0.71 119.26 123.76 3n0t h ALA 466 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3n0t h ALA 466 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3n0t h ALA 466 CO 0.09 -0.31 -0.17 1.15 0.00 0.00 0.00 179.25 180.01 3n0t h THR 467 N 0.22 0.66 -0.57 0.00 2.02 -1.55 -0.45 112.91 113.24 3n0t h THR 467 Ca 0.09 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3n0t h THR 467 Cb 0.02 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3n0t h THR 467 CO -0.06 0.04 0.38 0.40 0.37 0.00 0.00 175.52 176.64 3n0t h ILE 468 N -0.59 1.14 -0.68 3.11 2.04 -1.45 -0.28 117.51 120.79 3n0t h ILE 468 Ca -0.05 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3n0t h ILE 468 Cb 0.43 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3n0t h ILE 468 CO 0.08 0.14 0.36 0.40 0.00 0.00 0.00 178.15 179.13 3n0t h ILE 469 N 0.77 1.22 -0.70 -0.67 2.04 -0.81 -0.97 117.51 118.38 3n0t h ILE 469 Ca 0.21 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3n0t h ILE 469 Cb -0.08 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 3n0t h ILE 469 CO -0.05 0.24 0.43 1.23 0.00 0.00 0.00 178.15 180.00 3n0t h GLY 470 N 0.94 1.02 1.02 5.37 0.00 -0.76 -2.06 103.07 108.59 3n0t h GLY 470 Ca 0.24 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3n0t h GLY 470 CO -0.04 0.25 0.20 1.05 0.00 0.00 0.00 176.54 178.00 3n0t h GLU 471 N 0.82 0.98 0.19 4.80 9.09 -0.55 -1.99 114.58 127.92 3n0t h GLU 471 Ca 0.29 -0.21 -0.01 0.00 0.05 0.00 0.00 59.36 59.48 3n0t h GLU 471 Cb 0.07 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.03 3n0t h GLU 471 CO -0.13 0.87 -0.11 -1.49 0.05 0.00 0.00 179.01 178.19 3n0t h TRP 472 N 0.91 -0.29 -0.26 2.06 6.55 -0.64 0.63 115.95 124.90 3n0t h TRP 472 Ca 0.20 -0.00 0.06 0.00 0.95 0.00 0.00 58.89 60.10 3n0t h TRP 472 Cb 0.29 0.10 -0.06 0.00 -0.86 0.00 0.00 29.16 28.64 3n0t h TRP 472 CO 0.02 -0.18 -0.11 0.28 -1.05 0.00 0.00 178.44 177.41 3n0t h VAL 473 N -0.29 0.65 -0.64 1.49 2.07 -1.35 0.24 116.25 118.41 3n0t h VAL 473 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3n0t h VAL 473 Cb 0.24 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3n0t h VAL 473 CO 0.02 0.00 0.29 0.11 0.02 0.00 0.00 177.57 178.01 3n0t h LYS 474 N -0.06 0.94 -0.44 1.57 6.56 -1.25 0.69 116.57 124.58 3n0t h LYS 474 Ca 0.14 -0.15 -0.10 0.00 -1.06 0.00 0.00 60.65 59.47 3n0t h LYS 474 Cb 0.26 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3n0t h LYS 474 CO -0.31 0.76 -0.14 0.00 -2.06 0.00 0.00 179.45 177.71 3n0t h ALA 475 N 1.13 0.92 -0.07 3.86 0.00 -0.26 -1.55 119.26 123.29 3n0t h ALA 475 Ca 0.22 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3n0t h ALA 475 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3n0t h ALA 475 CO -0.02 0.62 -0.61 0.00 0.00 0.00 0.00 179.25 179.24 3n0t h ALA 476 N 1.11 0.84 0.18 0.00 0.00 -0.29 -2.32 119.26 118.77 3n0t h ALA 476 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3n0t h ALA 476 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3n0t h ALA 476 CO 0.05 0.73 -0.08 0.00 0.00 0.00 0.00 179.25 179.94 3n0t h ARG 477 N 0.18 -0.23 -0.91 0.00 2.47 -0.64 -3.30 114.38 111.95 3n0t h ARG 477 Ca -0.01 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3n0t h ARG 477 Cb 1.12 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.42 3n0t h ARG 477 CO 0.09 0.18 0.56 0.00 0.56 0.00 0.00 179.97 181.36 3n0t h ARG 478 N -0.74 0.93 -0.02 0.04 2.47 -1.34 -3.51 114.38 112.21 3n0t h ARG 478 Ca -0.02 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3n0t h ARG 478 Cb 0.51 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3n0t h ARG 478 CO 0.04 0.62 0.00 -0.85 0.56 0.00 0.00 179.97 180.34